 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_M11-def2SVPDr.in
 Output=30_ibuprofen_conformer04_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-12463.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12464.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:12 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               4.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:14 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:14 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.824531476295    
 DIIS: error= 4.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.824531476295     IErMin= 1 ErrMin= 4.77D-03
 ErrMax= 4.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-02 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 GapD=    0.392 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.29D-02 MaxDP=7.74D-01              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.09D-02    CP:  1.20D+00
 E= -655.850147813335     Delta-E=       -0.025616337040 Rises=F Damp=F
 DIIS: error= 8.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850147813335     IErMin= 2 ErrMin= 8.96D-04
 ErrMax= 8.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-03 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.96D-03
 Coeff-Com: -0.296D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.293D-01 0.103D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.86D-03 MaxDP=1.59D-01 DE=-2.56D-02 OVMax= 9.84D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.05D-03    CP:  1.26D+00  1.14D+00
 E= -655.851068965850     Delta-E=       -0.000921152516 Rises=F Damp=F
 DIIS: error= 8.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851068965850     IErMin= 3 ErrMin= 8.39D-04
 ErrMax= 8.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-04 BMatP= 1.06D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.39D-03
 Coeff-Com: -0.611D-01 0.484D+00 0.577D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.606D-01 0.480D+00 0.581D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.72D-04 MaxDP=1.78D-02 DE=-9.21D-04 OVMax= 4.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.27D+00  1.16D+00  1.05D+00
 E= -655.851569297421     Delta-E=       -0.000500331571 Rises=F Damp=F
 DIIS: error= 1.76D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851569297421     IErMin= 4 ErrMin= 1.76D-04
 ErrMax= 1.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-05 BMatP= 7.64D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.76D-03
 Coeff-Com: -0.141D-01 0.418D-01 0.152D+00 0.820D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.141D-01 0.417D-01 0.152D+00 0.820D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.71D-05 MaxDP=3.31D-03 DE=-5.00D-04 OVMax= 1.25D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.77D-05    CP:  1.27D+00  1.16D+00  1.06D+00  1.15D+00
 E= -655.851591666953     Delta-E=       -0.000022369532 Rises=F Damp=F
 DIIS: error= 8.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851591666953     IErMin= 5 ErrMin= 8.90D-05
 ErrMax= 8.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-06 BMatP= 2.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-02-0.367D-01-0.773D-02 0.360D+00 0.683D+00
 Coeff:      0.101D-02-0.367D-01-0.773D-02 0.360D+00 0.683D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=1.37D-03 DE=-2.24D-05 OVMax= 7.98D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.26D-05    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.06D+00
 E= -655.851596993685     Delta-E=       -0.000005326732 Rises=F Damp=F
 DIIS: error= 2.61D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851596993685     IErMin= 6 ErrMin= 2.61D-05
 ErrMax= 2.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-07 BMatP= 6.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02-0.218D-01-0.206D-01 0.866D-01 0.325D+00 0.629D+00
 Coeff:      0.195D-02-0.218D-01-0.206D-01 0.866D-01 0.325D+00 0.629D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.01D-06 MaxDP=3.12D-04 DE=-5.33D-06 OVMax= 1.98D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.10D-06    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.10D+00
 E= -655.851597649596     Delta-E=       -0.000000655911 Rises=F Damp=F
 DIIS: error= 4.99D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851597649596     IErMin= 7 ErrMin= 4.99D-06
 ErrMax= 4.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-08 BMatP= 8.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-03-0.145D-02-0.435D-02-0.186D-01 0.819D-02 0.148D+00
 Coeff-Com:  0.868D+00
 Coeff:      0.356D-03-0.145D-02-0.435D-02-0.186D-01 0.819D-02 0.148D+00
 Coeff:      0.868D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.17D-06 MaxDP=2.51D-04 DE=-6.56D-07 OVMax= 7.39D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.23D-06    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.15D+00  1.19D+00
 E= -655.851597696261     Delta-E=       -0.000000046664 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851597696261     IErMin= 8 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-09 BMatP= 3.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.815D-04 0.149D-02 0.854D-03-0.109D-01-0.239D-01-0.341D-01
 Coeff-Com:  0.158D+00 0.909D+00
 Coeff:     -0.815D-04 0.149D-02 0.854D-03-0.109D-01-0.239D-01-0.341D-01
 Coeff:      0.158D+00 0.909D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=6.03D-05 DE=-4.67D-08 OVMax= 2.45D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.90D-07    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.23D+00  1.06D+00
 E= -655.851597700680     Delta-E=       -0.000000004419 Rises=F Damp=F
 DIIS: error= 6.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851597700680     IErMin= 9 ErrMin= 6.35D-07
 ErrMax= 6.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-10 BMatP= 2.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.672D-04 0.772D-03 0.774D-03-0.307D-02-0.102D-01-0.294D-01
 Coeff-Com: -0.137D-01 0.370D+00 0.685D+00
 Coeff:     -0.672D-04 0.772D-03 0.774D-03-0.307D-02-0.102D-01-0.294D-01
 Coeff:     -0.137D-01 0.370D+00 0.685D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.65D-07 MaxDP=2.00D-05 DE=-4.42D-09 OVMax= 8.46D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.98D-07    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.25D+00  1.12D+00  9.95D-01
 E= -655.851597701423     Delta-E=       -0.000000000743 Rises=F Damp=F
 DIIS: error= 1.55D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851597701423     IErMin=10 ErrMin= 1.55D-07
 ErrMax= 1.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-11 BMatP= 6.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.887D-05 0.292D-04 0.108D-03 0.465D-03 0.603D-03-0.438D-02
 Coeff-Com: -0.221D-01-0.169D-01 0.182D+00 0.860D+00
 Coeff:     -0.887D-05 0.292D-04 0.108D-03 0.465D-03 0.603D-03-0.438D-02
 Coeff:     -0.221D-01-0.169D-01 0.182D+00 0.860D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.35D-07 MaxDP=9.95D-06 DE=-7.43D-10 OVMax= 4.14D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.25D+00  1.13D+00  1.04D+00  1.04D+00
 E= -655.851597701510     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 6.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -655.851597701510     IErMin=11 ErrMin= 6.99D-08
 ErrMax= 6.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-12 BMatP= 5.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.536D-05-0.849D-04-0.607D-04 0.485D-03 0.154D-02 0.194D-02
 Coeff-Com: -0.400D-02-0.504D-01-0.315D-01 0.254D+00 0.828D+00
 Coeff:      0.536D-05-0.849D-04-0.607D-04 0.485D-03 0.154D-02 0.194D-02
 Coeff:     -0.400D-02-0.504D-01-0.315D-01 0.254D+00 0.828D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=5.00D-08 MaxDP=2.07D-06 DE=-8.71D-11 OVMax= 1.64D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.01D-08    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.25D+00  1.13D+00  1.06D+00  1.10D+00
                    CP:  1.04D+00
 E= -655.851597701540     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 2.36D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.851597701540     IErMin=12 ErrMin= 2.36D-08
 ErrMax= 2.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.63D-13 BMatP= 7.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-05-0.209D-04-0.252D-04 0.324D-04 0.281D-03 0.858D-03
 Coeff-Com:  0.244D-02-0.874D-02-0.317D-01-0.614D-01 0.168D+00 0.931D+00
 Coeff:      0.219D-05-0.209D-04-0.252D-04 0.324D-04 0.281D-03 0.858D-03
 Coeff:      0.244D-02-0.874D-02-0.317D-01-0.614D-01 0.168D+00 0.931D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.40D-08 MaxDP=1.51D-06 DE=-3.02D-11 OVMax= 9.59D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.83D-08    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.24D+00  1.13D+00  1.06D+00  1.12D+00
                    CP:  1.12D+00  1.20D+00
 E= -655.851597701609     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 1.21D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -655.851597701609     IErMin=13 ErrMin= 1.21D-08
 ErrMax= 1.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-13 BMatP= 8.63D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.309D-06 0.799D-05 0.406D-05-0.662D-04-0.161D-03-0.126D-03
 Coeff-Com:  0.117D-02 0.558D-02-0.237D-02-0.521D-01-0.924D-01 0.217D+00
 Coeff-Com:  0.923D+00
 Coeff:     -0.309D-06 0.799D-05 0.406D-05-0.662D-04-0.161D-03-0.126D-03
 Coeff:      0.117D-02 0.558D-02-0.237D-02-0.521D-01-0.924D-01 0.217D+00
 Coeff:      0.923D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.30D-08 MaxDP=9.23D-07 DE=-6.91D-11 OVMax= 4.78D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.75D-09    CP:  1.27D+00  1.16D+00  1.07D+00  1.20D+00  1.12D+00
                    CP:  1.18D+00  1.24D+00  1.13D+00  1.06D+00  1.12D+00
                    CP:  1.14D+00  1.33D+00  1.18D+00
 E= -655.851597701565     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 4.58D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -655.851597701609     IErMin=14 ErrMin= 4.58D-09
 ErrMax= 4.58D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-14 BMatP= 1.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.350D-06 0.449D-05 0.425D-05-0.207D-04-0.756D-04-0.135D-03
 Coeff-Com: -0.430D-04 0.243D-02 0.360D-02-0.383D-02-0.432D-01-0.698D-01
 Coeff-Com:  0.221D+00 0.890D+00
 Coeff:     -0.350D-06 0.449D-05 0.425D-05-0.207D-04-0.756D-04-0.135D-03
 Coeff:     -0.430D-04 0.243D-02 0.360D-02-0.383D-02-0.432D-01-0.698D-01
 Coeff:      0.221D+00 0.890D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.92D-09 MaxDP=2.55D-07 DE= 4.39D-11 OVMax= 2.16D-07

 SCF Done:  E(RM11) =  -655.851597702     A.U. after   14 cycles
            NFock= 14  Conv=0.49D-08     -V/T= 2.0120
 KE= 6.480783659050D+02 PE=-3.467757926866D+03 EE= 1.190738944377D+03
 Leave Link  502 at Mon Sep 27 09:46:13 2021, MaxMem=  6442450944 cpu:            2854.0 elap:             357.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.61397362D+02

 Leave Link  801 at Mon Sep 27 09:46:13 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 2.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.78D-01 6.89D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.67D-02 6.19D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.56D-03 1.51D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 6.36D-04 4.61D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 6.41D-05 9.44D-04.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.48D-06 2.70D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.43D-07 4.83D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 8.87D-09 1.07D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.75D-10 1.50D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 9.20D-12 3.44D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.82D-13 6.38D-08.
      3 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 2.17D-13 4.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.217001D+03
      2 -0.128859D+01  0.136384D+03
      3  0.207567D+01 -0.770739D+01  0.147842D+03
 Isotropic polarizability for W=    0.088559      167.08 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.242104D+03  0.390145D+02 -0.219279D+02
      2  -0.128480D+03 -0.240822D+02  0.410217D+02
      3  -0.113624D+03 -0.149323D+02 -0.190938D+02
      4  -0.402828D+02  0.783302D+02 -0.127676D+02
      5  -0.248200D+02 -0.183011D+02  0.739725D+02
      6   0.920129D+00  0.214892D+02 -0.342280D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.796631D+01 -0.786363D+01  0.227894D+02
      2  -0.107083D-01 -0.577364D+01  0.356136D+02
      3  -0.981180D+02 -0.427915D+02  0.110598D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.553351D+01 -0.195325D+02  0.192957D+02
      2   0.289208D+01 -0.136878D+02  0.187597D+03
      3  -0.792973D+02 -0.206810D+03  0.192213D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.125973D+01 -0.111468D+00  0.113319D+02
      2  -0.111468D+00 -0.187517D+01 -0.607238D+00
      3   0.113319D+02 -0.607238D+00 -0.206466D+01
 OR G Eigenvalues:   -11.8706    -1.8781    11.0686  Iso=     0.8934
 Eigenvectors:
   (1)  -0.652681   0.038689   0.756644
   (2)   0.053427   0.998559  -0.004972
   (3)   0.755747  -0.037181   0.653808
 w=    0.088559 a.u., Optical Rotation Beta=      0.8934 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      219.60 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 7.08D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.50D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 2.76D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 4.62D-02 4.07D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.69D-03 7.36D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 8.04D-05 1.07D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.17D-06 1.55D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 4.17D-08 2.05D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 6.32D-10 2.06D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 7.29D-12 2.56D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 8.05D-14 2.71D-08.
      5 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.20D-14 7.09D-09.
      5 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 8.15D-14 3.27D-08.
      1 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 6.75D-15 9.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   281 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.34D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.34D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217001D+03 -0.128859D+01  0.207567D+01
      2  -0.128859D+01  0.136384D+03 -0.770739D+01
      3   0.207567D+01 -0.770739D+01  0.147842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.796631D+01 -0.786363D+01  0.227894D+02
      2  -0.107083D-01 -0.577364D+01  0.356136D+02
      3  -0.981180D+02 -0.427915D+02  0.110598D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.242104D+03  0.390145D+02 -0.219279D+02
      2  -0.128480D+03 -0.240822D+02  0.410217D+02
      3  -0.113624D+03 -0.149323D+02 -0.190938D+02
      4  -0.402828D+02  0.783302D+02 -0.127676D+02
      5  -0.248200D+02 -0.183011D+02  0.739725D+02
      6   0.920129D+00  0.214892D+02 -0.342280D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110117D+02 -0.147580D+00  0.785450D+00  0.548911D+01  0.202174D+01
      2  -0.147580D+00  0.106712D+01  0.119317D+00  0.202174D+01  0.190988D+01
      3   0.785450D+00  0.119317D+00  0.869584D+00 -0.981090D-01 -0.258387D+01
                 6             7             8             9            10 
      1  -0.981090D-01 -0.916089D+01  0.290151D+00 -0.291757D+00  0.287139D+02
      2  -0.258387D+01  0.290151D+00 -0.115742D+01 -0.106645D+01  0.154355D+01
      3  -0.225249D+01 -0.291757D+00 -0.106645D+01 -0.173512D+01 -0.102317D+01
                11            12            13            14            15 
      1   0.154355D+01 -0.102317D+01 -0.672353D+00  0.426325D+01  0.122470D+01
      2   0.201193D+01 -0.609208D+00  0.426325D+01 -0.790468D+00 -0.142255D+00
      3  -0.609208D+00  0.268762D+01  0.122470D+01 -0.142255D+00 -0.660491D+00
                16            17            18            19            20 
      1  -0.357930D+01  0.139664D+01  0.102378D+01  0.799715D+01 -0.478398D-01
      2   0.139664D+01  0.240028D+00 -0.731504D+00 -0.478398D-01 -0.948069D+00
      3   0.102378D+01 -0.731504D+00 -0.279382D+00 -0.591339D+00 -0.410920D+00
                21            22            23            24            25 
      1  -0.591339D+00  0.353334D+01 -0.141712D+01 -0.104867D+01 -0.121217D+02
      2  -0.410920D+00 -0.141712D+01  0.241886D+01 -0.210125D+01 -0.295584D+00
      3  -0.249147D+01 -0.104867D+01 -0.210125D+01 -0.101615D+01  0.442122D+00
                26            27            28            29            30 
      1  -0.295584D+00  0.442122D+00 -0.253728D+02 -0.782563D+00  0.942595D+00
      2  -0.924400D+00 -0.737647D+00 -0.782563D+00 -0.152515D+01  0.116170D+00
      3  -0.737647D+00 -0.155631D+01  0.942595D+00  0.116170D+00 -0.252202D+01
                31            32            33            34            35 
      1   0.239218D+01 -0.471065D+01 -0.135876D+01  0.263122D+01 -0.114864D+01
      2  -0.471065D+01  0.561262D+00  0.339450D+00 -0.114864D+01  0.403511D-01
      3  -0.135876D+01  0.339450D+00 -0.115677D+00 -0.770997D+00 -0.802697D+00
                36            37            38            39            40 
      1  -0.770997D+00  0.119099D+02 -0.275760D+00 -0.678857D+00 -0.367364D+01
      2  -0.802697D+00 -0.275760D+00 -0.193189D+01  0.117795D+01 -0.162381D+01
      3   0.875128D+00 -0.678857D+00  0.117795D+01 -0.156992D+01 -0.156546D+00
                41            42            43            44            45 
      1  -0.162381D+01 -0.156546D+00  0.996273D+01 -0.150184D+01  0.437168D+00
      2  -0.247204D+01  0.234373D+01 -0.150184D+01  0.114247D+01  0.135143D+01
      3   0.234373D+01  0.207269D+01  0.437168D+00  0.135143D+01  0.136370D+01
                46            47            48            49            50 
      1  -0.892719D+01  0.346411D+00  0.271452D+00 -0.262056D+01  0.105248D+01
      2   0.346411D+00  0.146048D+01 -0.572486D+00  0.105248D+01 -0.330777D+01
      3   0.271452D+00 -0.572486D+00  0.277258D+01  0.137927D+01  0.193257D+01
                51            52            53            54            55 
      1   0.137927D+01  0.118221D+02  0.130533D+01 -0.924153D+00 -0.142584D+02
      2   0.193257D+01  0.130533D+01  0.541026D-02  0.140508D+01 -0.214461D+01
      3   0.100642D+01 -0.924153D+00  0.140508D+01  0.663652D+00 -0.510467D+00
                56            57            58            59            60 
      1  -0.214461D+01 -0.510467D+00 -0.560506D+01 -0.721784D+01 -0.668202D+00
      2  -0.342397D+01 -0.156619D+00 -0.721784D+01  0.227632D+01 -0.170563D+01
      3  -0.156619D+00 -0.134474D+01 -0.668202D+00 -0.170563D+01  0.236291D-01
                61            62            63            64            65 
      1  -0.542352D+01 -0.127890D+01 -0.301874D+01 -0.129886D+01  0.302335D+01
      2  -0.127890D+01 -0.298597D+01  0.458944D+00  0.302335D+01  0.365201D+01
      3  -0.301874D+01  0.458944D+00  0.508614D+01  0.140040D+00  0.385574D+00
                66            67            68            69            70 
      1   0.140040D+00  0.105037D+02  0.624387D+01  0.853808D+00  0.555880D+01
      2   0.385574D+00  0.624387D+01 -0.146774D+01  0.212053D+01  0.140356D+01
      3   0.233158D+01  0.853808D+00  0.212053D+01  0.572871D+00  0.352640D+01
                71            72            73            74            75 
      1   0.140356D+01  0.352640D+01  0.601049D+01 -0.248459D+01 -0.119305D+01
      2   0.300718D+01  0.655542D+00 -0.248459D+01 -0.358059D+01 -0.613703D+00
      3   0.655542D+00 -0.693713D+01 -0.119305D+01 -0.613703D+00 -0.178070D+01
                76            77            78            79            80 
      1  -0.378575D+01 -0.391304D+01 -0.898779D+00 -0.211747D+01 -0.970884D+00
      2  -0.391304D+01 -0.248606D+00 -0.281879D+01 -0.970884D+00 -0.382706D+01
      3  -0.898779D+00 -0.281879D+01 -0.120562D+01 -0.254782D+01 -0.186699D+01
                81            82            83            84            85 
      1  -0.254782D+01  0.505170D+01 -0.182801D+01 -0.584139D+00 -0.355462D+01
      2  -0.186699D+01 -0.182801D+01 -0.348362D+01 -0.489413D+00 -0.536124D+01
      3   0.517132D+01 -0.584139D+00 -0.489413D+00 -0.288376D+01 -0.859803D+00
                86            87            88            89            90 
      1  -0.536124D+01 -0.859803D+00 -0.186517D+01 -0.862986D+00 -0.431150D+01
      2   0.210353D+01 -0.363556D+01 -0.862986D+00 -0.371164D+01 -0.311719D+00
      3  -0.363556D+01 -0.467758D+00 -0.431150D+01 -0.311719D+00  0.433737D+01
                91            92            93            94            95 
      1   0.327264D+01  0.265507D+01  0.395801D+00  0.141950D-01  0.554336D+01
      2   0.265507D+01  0.188016D+01  0.867434D+00  0.554336D+01 -0.294470D+01
      3   0.395801D+00  0.867434D+00  0.138484D+01  0.165717D+01  0.197044D+00
                96            97            98            99           100 
      1   0.165717D+01  0.350124D+01  0.156631D+01  0.196006D+01  0.260902D+01
      2   0.197044D+00  0.156631D+01  0.195869D+01  0.189709D+01 -0.141333D+01
      3   0.144084D+01  0.196006D+01  0.189709D+01 -0.428419D+01  0.155791D+01
               101           102           103           104           105 
      1  -0.141333D+01  0.155791D+01 -0.161957D+01 -0.646068D+00 -0.134156D+01
      2   0.144497D+00 -0.748142D+00 -0.646068D+00  0.280217D+01  0.708987D-01
      3  -0.748142D+00  0.429493D+00 -0.134156D+01  0.708987D-01 -0.159682D+01
               106           107           108           109           110 
      1   0.233979D+01 -0.211347D+01  0.112815D+01 -0.520773D+01  0.195345D+01
      2  -0.211347D+01  0.151277D+01 -0.200278D+01  0.195345D+01 -0.151451D+01
      3   0.112815D+01 -0.200278D+01  0.312120D+01 -0.341109D+01  0.618035D+00
               111           112           113           114           115 
      1  -0.341109D+01  0.279217D+01 -0.235775D+01  0.122901D+01 -0.707907D+01
      2   0.618035D+00 -0.235775D+01  0.259986D+01 -0.221981D+01  0.260883D+01
      3  -0.191454D+01  0.122901D+01 -0.221981D+01  0.203202D+01 -0.308560D+01
               116           117           118           119           120 
      1   0.260883D+01 -0.308560D+01  0.874758D+00 -0.781881D-01  0.119345D+01
      2  -0.404578D+01  0.185061D+01 -0.781881D-01  0.209224D+01  0.393095D+00
      3   0.185061D+01 -0.743599D+01  0.119345D+01  0.393095D+00  0.282034D+00
               121           122           123           124           125 
      1  -0.177158D+00  0.198905D+01  0.195572D+00  0.301562D+01 -0.110029D+01
      2   0.198905D+01 -0.486490D+01  0.894190D+00 -0.110029D+01  0.287479D+01
      3   0.195572D+00  0.894190D+00  0.237680D+00 -0.824857D+00  0.235440D+01
               126           127           128           129           130 
      1  -0.824857D+00  0.204433D+01  0.579256D+00 -0.199160D+01  0.258983D+00
      2   0.235440D+01  0.579256D+00  0.301999D+00 -0.414413D+00  0.158058D+00
      3   0.436853D+01 -0.199160D+01 -0.414413D+00  0.201176D+01 -0.714202D+00
               131           132           133           134           135 
      1   0.158058D+00 -0.714202D+00 -0.232811D+01 -0.948558D+00  0.258957D+01
      2   0.483330D+00 -0.731275D+00 -0.948558D+00 -0.133059D+01  0.165657D+01
      3  -0.731275D+00  0.224401D+01  0.258957D+01  0.165657D+01 -0.717430D+01
               136           137           138           139           140 
      1  -0.391031D+01  0.112418D+01 -0.196916D+01  0.163632D+01 -0.562509D+00
      2   0.112418D+01 -0.782106D+00  0.560393D+00 -0.562509D+00  0.609398D+00
      3  -0.196916D+01  0.560393D+00 -0.172738D+01  0.106193D+01 -0.616692D+00
               141           142           143           144           145 
      1   0.106193D+01 -0.238546D+01  0.838898D+00 -0.248821D+01 -0.216874D+01
      2  -0.616692D+00  0.838898D+00 -0.123129D+01  0.142758D+01 -0.672128D+00
      3   0.168580D+01 -0.248821D+01  0.142758D+01 -0.451239D+01  0.209492D+01
               146           147           148           149           150 
      1  -0.672128D+00  0.209492D+01 -0.503411D+00 -0.231297D+00  0.750080D+00
      2  -0.411528D+00  0.628970D+00 -0.231297D+00 -0.705570D+00  0.943348D+00
      3   0.628970D+00 -0.215857D+01  0.750080D+00  0.943348D+00 -0.240181D+01
               151           152           153           154           155 
      1   0.207546D+01  0.101850D+01 -0.268058D+01  0.374553D+01 -0.114873D+01
      2   0.101850D+01  0.164965D+01 -0.238161D+01 -0.114873D+01  0.965704D+00
      3  -0.268058D+01 -0.238161D+01  0.748956D+01  0.256653D+01 -0.105549D+01
               156           157           158           159           160 
      1   0.256653D+01 -0.168445D+01  0.731112D+00 -0.133439D+01  0.271149D+01
      2  -0.105549D+01  0.731112D+00 -0.906297D+00  0.974043D+00 -0.123425D+01
      3   0.226312D+01 -0.133439D+01  0.974043D+00 -0.201164D+01  0.288231D+01
               161           162           163           164           165 
      1  -0.123425D+01  0.288231D+01  0.932439D+00 -0.389111D-01 -0.156833D+01
      2   0.168217D+01 -0.211742D+01 -0.389111D-01  0.717978D+00  0.268680D+00
      3  -0.211742D+01  0.513493D+01 -0.156833D+01  0.268680D+00  0.130897D+01
               166           167           168           169           170 
      1   0.147522D+01  0.119224D+01 -0.108676D-01 -0.346408D+01  0.104796D+00
      2   0.119224D+01 -0.446385D+00 -0.791290D+00  0.104796D+00 -0.110261D+01
      3  -0.108676D-01 -0.791290D+00 -0.144558D-01  0.234768D+01 -0.113367D+01
               171           172           173           174           175 
      1   0.234768D+01  0.409650D+01 -0.191401D+01  0.657529D+00 -0.388448D+01
      2  -0.113367D+01 -0.191401D+01  0.223129D+01 -0.732090D-01  0.337646D+01
      3  -0.624078D+01  0.657529D+00 -0.732090D-01  0.405922D+00 -0.164187D+00
               176           177           178           179           180 
      1   0.337646D+01 -0.164187D+00  0.432900D+01 -0.362310D+00  0.107199D+01
      2  -0.671082D+01  0.829855D+00 -0.362310D+00  0.191213D+01 -0.108972D+01
      3   0.829855D+00 -0.740833D+00  0.107199D+01 -0.108972D+01  0.287955D+00
               181           182           183           184           185 
      1  -0.354888D+00 -0.638877D+00  0.140973D+01 -0.129950D+01 -0.832051D+00
      2  -0.638877D+00 -0.774951D+00 -0.642004D-01 -0.832051D+00  0.212047D+00
      3   0.140973D+01 -0.642004D-01 -0.911944D+00  0.102021D+00  0.822345D+00
               186           187           188           189           190 
      1   0.102021D+00  0.217486D+01  0.135971D+00 -0.663896D+00 -0.879668D+01
      2   0.822345D+00  0.135971D+00  0.999899D+00 -0.596784D-01  0.710963D+00
      3  -0.171267D-01 -0.663896D+00 -0.596784D-01  0.728827D+01  0.483194D+00
               191           192           193           194           195 
      1   0.710963D+00  0.483194D+00  0.151853D+00 -0.147632D+01  0.597754D-01
      2  -0.214118D+01  0.879159D-01 -0.147632D+01  0.716988D+00  0.402022D+00
      3   0.879159D-01 -0.643706D+00  0.597754D-01  0.402022D+00  0.366475D+00
               196           197           198           199           200 
      1   0.590350D+00 -0.645901D-01 -0.447554D+00  0.373419D+00  0.674242D+00
      2  -0.645901D-01  0.685615D+00  0.552196D+00  0.674242D+00  0.943089D+00
      3  -0.447554D+00  0.552196D+00 -0.258154D+00 -0.108414D+01 -0.293864D+00
               201           202           203           204           205 
      1  -0.108414D+01  0.364899D+00  0.662112D+00 -0.117441D+00 -0.173145D+01
      2  -0.293864D+00  0.662112D+00  0.864679D+00 -0.864286D+00 -0.502471D+00
      3   0.127854D+01 -0.117441D+00 -0.864286D+00  0.678277D+00  0.147596D+01
               206           207           208           209           210 
      1  -0.502471D+00  0.147596D+01  0.242153D+01  0.270487D+01  0.967030D+00
      2  -0.190073D+01  0.192399D+01  0.270487D+01  0.327655D+01  0.686277D+00
      3   0.192399D+01 -0.671224D+01  0.967030D+00  0.686277D+00  0.938353D+00
               211           212           213           214           215 
      1   0.245218D+01  0.336361D+01  0.898195D+00  0.178439D+01  0.140148D+01
      2   0.336361D+01  0.697157D+01  0.200833D+01  0.140148D+01  0.329110D+01
      3   0.898195D+00  0.200833D+01  0.135573D+01  0.131452D+01  0.190875D+01
               216           217           218           219           220 
      1   0.131452D+01  0.213340D+01  0.138162D+00 -0.175259D+01  0.436800D+00
      2   0.190875D+01  0.138162D+00  0.618820D+00  0.582255D-01  0.124402D+01
      3   0.120554D+01 -0.175259D+01  0.582255D-01  0.170026D+01  0.170190D-01
               221           222           223           224           225 
      1   0.124402D+01  0.170190D-01 -0.421962D+01  0.121609D+00  0.333207D+01
      2  -0.166329D+00 -0.559412D+00  0.121609D+00 -0.914752D+00 -0.201284D-01
      3  -0.559412D+00  0.113861D+00  0.333207D+01 -0.201284D-01 -0.611767D+01
               226           227           228           229           230 
      1   0.192243D+01 -0.189020D+01  0.928497D+00 -0.377529D+01  0.332554D+01
      2  -0.189020D+01  0.182355D+01 -0.531424D+00  0.332554D+01 -0.589980D+01
      3   0.928497D+00 -0.531424D+00  0.828496D+00 -0.984175D+00  0.194287D+01
               231           232           233           234           235 
      1  -0.984175D+00  0.186514D+01 -0.890889D+00  0.162985D+01  0.498217D+01
      2   0.194287D+01 -0.890889D+00  0.207957D+01 -0.139742D+01  0.256262D+01
      3  -0.148029D+01  0.162985D+01 -0.139742D+01  0.115777D+01  0.182270D+01
               236           237           238           239           240 
      1   0.256262D+01  0.182270D+01  0.528633D+01  0.355164D+01  0.153088D+01
      2   0.194160D+01  0.866921D+00  0.355164D+01  0.355549D+01  0.183942D+01
      3   0.866921D+00  0.135823D+01  0.153088D+01  0.183942D+01  0.157042D+01
               241           242           243           244           245 
      1   0.346816D+01  0.138641D+01  0.248385D+01  0.309234D+00 -0.834910D+00
      2   0.138641D+01  0.193662D+01  0.140049D+01 -0.834910D+00 -0.530916D+00
      3   0.248385D+01  0.140049D+01  0.170509D+01  0.149796D+01  0.108651D+00
               246           247           248           249           250 
      1   0.149796D+01 -0.118379D+01 -0.106626D+01  0.214253D+00  0.252265D+01
      2   0.108651D+00 -0.106626D+01 -0.598624D+00  0.112595D+01  0.210290D+00
      3  -0.118534D+01  0.214253D+00  0.112595D+01 -0.120591D+01 -0.194022D+01
               251           252           253           254           255 
      1   0.210290D+00 -0.194022D+01  0.812190D+01 -0.233962D+00 -0.173319D+01
      2   0.141812D+01 -0.104092D+01 -0.233962D+00 -0.339561D+01 -0.692640D+00
      3  -0.104092D+01  0.613941D+01 -0.173319D+01 -0.692640D+00 -0.994920D+00
               256           257           258           259           260 
      1  -0.425040D+01 -0.376136D+01 -0.115816D+01 -0.584585D+01 -0.155402D+01
      2  -0.376136D+01  0.367515D+01 -0.145142D+01 -0.155402D+01 -0.255186D+01
      3  -0.115816D+01 -0.145142D+01 -0.169631D+01 -0.154060D+01 -0.139004D+01
               261           262           263           264           265 
      1  -0.154060D+01 -0.987310D+00  0.139128D+01  0.466615D+00  0.165917D+01
      2  -0.139004D+01  0.139128D+01 -0.191483D+01 -0.431299D+00 -0.266882D+01
      3   0.379978D+01  0.466615D+00 -0.431299D+00 -0.403442D+00 -0.506811D+00
               266           267           268           269           270 
      1  -0.266882D+01 -0.506811D+00 -0.274478D+00  0.561770D+00 -0.210517D+00
      2   0.856332D+01  0.157309D+01  0.561770D+00 -0.136560D+01  0.512080D+00
      3   0.157309D+01  0.148472D+01 -0.210517D+00  0.512080D+00  0.414421D+00
               271           272           273           274           275 
      1  -0.147940D+02 -0.209771D+01  0.246946D+00  0.136532D+00 -0.123898D+01
      2  -0.209771D+01 -0.140915D+01 -0.129775D+00 -0.123898D+01 -0.536250D+00
      3   0.246946D+00 -0.129775D+00 -0.103085D+01  0.117674D+00  0.257122D+00
               276           277           278           279           280 
      1   0.117674D+00  0.206543D+01  0.482743D+00 -0.127369D+01  0.816064D-01
      2   0.257122D+00  0.482743D+00  0.647242D+00 -0.257169D-01 -0.970189D+00
      3   0.244810D+00 -0.127369D+01 -0.257169D-01  0.293106D-01  0.342936D+00
               281           282           283           284           285 
      1  -0.970189D+00  0.342936D+00 -0.136687D+01 -0.475204D-01 -0.163173D-01
      2   0.211969D+01  0.189949D+00 -0.475204D-01 -0.850279D+01  0.997471D-01
      3   0.189949D+00  0.433415D+00 -0.163173D-01  0.997471D-01 -0.865091D+00
               286           287           288           289           290 
      1   0.101723D+01  0.301027D+00  0.140294D+00 -0.515596D+00  0.234687D+00
      2   0.301027D+00  0.124732D+01 -0.886584D+00  0.234687D+00  0.519365D+00
      3   0.140294D+00 -0.886584D+00 -0.745333D-01 -0.680152D+00  0.153244D+00
               291           292           293           294           295 
      1  -0.680152D+00  0.107395D+01  0.414090D+00  0.145627D+00 -0.183948D+01
      2   0.153244D+00  0.414090D+00  0.245251D+00 -0.495011D+00 -0.304637D+00
      3   0.278513D+00  0.145627D+00 -0.495011D+00  0.618229D+00 -0.765086D+00
               296           297 
      1  -0.304637D+00 -0.765086D+00
      2  -0.128143D+01 -0.292086D+00
      3  -0.292086D+00 -0.632090D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142118D+01 -0.217834D+01  0.938434D+00 -0.644566D+01 -0.184286D+01
      2   0.230193D+01 -0.239723D+01  0.100265D+02 -0.195551D+01  0.160832D+01
      3   0.150245D+02 -0.152443D+01  0.276861D+01  0.796341D+01 -0.183431D+01
                 6             7             8             9            10 
      1  -0.240378D+01 -0.146386D+01  0.153943D+01 -0.278548D+00 -0.142960D+01
      2  -0.300508D+01 -0.439797D+01 -0.975808D+00  0.232069D+01  0.306410D+00
      3   0.224070D+01  0.126266D+02  0.208045D+00  0.243127D+01 -0.280734D+02
                11            12            13            14            15 
      1   0.166061D+00  0.167278D+01  0.215027D+01  0.379249D+01 -0.800096D+01
      2   0.826701D+00 -0.361844D+01  0.428983D+01  0.188424D-01  0.910759D+00
      3  -0.127021D+01  0.467073D+00  0.108472D+02 -0.967226D+00 -0.399845D+00
                16            17            18            19            20 
      1  -0.328844D+01 -0.162848D+01 -0.441559D+01 -0.193262D+00  0.140016D+01
      2  -0.231309D+02 -0.135041D+01 -0.326703D+01 -0.304791D+01 -0.219557D+01
      3  -0.964822D+00 -0.147582D+01 -0.122624D+01 -0.873723D+01 -0.158976D+01
                21            22            23            24            25 
      1  -0.109535D+01  0.561396D+01 -0.193166D+01 -0.346606D+01  0.454316D+01
      2   0.306419D+01 -0.382164D+01 -0.199285D+01  0.541341D+00 -0.235798D+01
      3   0.252757D+01  0.853578D+01  0.157845D+01 -0.269576D+01  0.150040D+02
                26            27            28            29            30 
      1   0.153994D+01 -0.134896D+01  0.118381D+01  0.610611D+00 -0.235456D+01
      2   0.756272D+00 -0.563272D+00  0.907907D+00  0.203438D+01 -0.303883D+01
      3  -0.617607D+00 -0.375429D+01  0.229858D+02  0.114302D+01 -0.247611D+01
                31            32            33            34            35 
      1  -0.138132D+01  0.443438D+01 -0.829041D+01 -0.466137D+01 -0.115515D+01
      2   0.449451D+01  0.379196D+00  0.280455D+01 -0.236528D+02  0.279952D+01
      3   0.743054D+01  0.501513D+01  0.675714D+00 -0.543914D+01 -0.201546D+01
                36            37            38            39            40 
      1  -0.328074D+01 -0.163104D+01 -0.770856D+00 -0.103475D+01 -0.571678D+01
      2  -0.219921D+01 -0.520204D+00 -0.260695D+01  0.902002D+01 -0.315189D+01
      3   0.161872D+01 -0.118726D+02 -0.100578D+01  0.288512D+01  0.140728D+02
                41            42            43            44            45 
      1   0.146203D+01  0.702397D+00 -0.204729D+01  0.353668D+01  0.211010D+01
      2   0.124407D+01 -0.236099D+01 -0.719259D+01 -0.637309D+00  0.206787D+01
      3  -0.418306D+00  0.239184D+01 -0.865317D+01  0.316380D+01  0.143546D+01
                46            47            48            49            50 
      1   0.765976D+00  0.114838D+01  0.225871D+01  0.787340D+01  0.134170D+01
      2  -0.773536D+00 -0.208077D+01  0.360518D+01 -0.315039D+01 -0.143738D+01
      3   0.120653D+02 -0.189414D+01 -0.267117D-01  0.130792D+02  0.102499D+01
                51            52            53            54            55 
      1  -0.265739D+01  0.269898D+01  0.330740D+01  0.433380D+00 -0.130065D+01
      2   0.115209D+01 -0.272704D+01  0.103028D+01 -0.913416D+00 -0.438311D+01
      3  -0.425610D+01 -0.960379D+01 -0.148308D+01 -0.127072D+01  0.156833D+02
                56            57            58            59            60 
      1   0.754340D-01 -0.763664D+00 -0.176715D-01 -0.508463D+01 -0.122359D+01
      2   0.296375D+00 -0.585075D+00 -0.257656D+01 -0.104924D+02  0.132657D+01
      3   0.911205D+01  0.530950D+00  0.354352D+02 -0.815148D-01  0.630472D+01
                61            62            63            64            65 
      1  -0.430936D+00  0.410371D+01  0.463771D+01  0.180502D+01  0.107654D+01
      2  -0.204518D+02  0.699349D-01  0.193983D+02  0.462820D+01  0.157829D+01
      3   0.935004D+01  0.108525D+02  0.216237D+01 -0.191000D+02 -0.193907D+02
                66            67            68            69            70 
      1  -0.169739D+01 -0.439668D+00 -0.176241D+01 -0.233235D+01  0.455444D+00
      2   0.127082D+02  0.504986D+01  0.101032D+02  0.875906D+00  0.110640D+02
      3  -0.167631D+01 -0.239813D+02  0.535101D+01 -0.867402D+01 -0.101247D+02
                71            72            73            74            75 
      1   0.460655D+01  0.440445D+01  0.235912D+01  0.218071D+01  0.446274D+01
      2   0.345734D+01 -0.321691D+02 -0.138175D+01 -0.379376D+01 -0.435287D+01
      3  -0.126703D+02 -0.276287D+01  0.251529D+02  0.337236D+01  0.338933D+00
                76            77            78            79            80 
      1   0.295815D+01  0.893208D+01  0.164733D+01  0.643370D+01  0.846789D+01
      2  -0.490932D+01 -0.104473D+02 -0.432698D+01 -0.114379D+02 -0.647799D+01
      3   0.983634D+01 -0.678499D+01  0.818655D+01  0.117320D+01  0.112688D+02
                81            82            83            84            85 
      1  -0.114580D+02 -0.442705D+00 -0.359487D+00  0.279611D+00 -0.269370D+00
      2   0.176301D+02 -0.610932D+01 -0.213504D+01 -0.145843D+02 -0.392240D+01
      3   0.281820D+01  0.971397D+01  0.181296D+02  0.268224D+01  0.362342D+02
                86            87            88            89            90 
      1   0.110227D+01 -0.254033D+01  0.497641D+00  0.116501D+01 -0.104451D+01
      2  -0.202105D+02 -0.128451D+01 -0.293644D+02 -0.146964D+01  0.255247D+02
      3  -0.130569D+02  0.209953D+02  0.441899D+01  0.209448D+02  0.192713D+01
                91            92            93            94            95 
      1   0.105123D+01  0.251492D+00  0.181252D+01  0.215408D+01 -0.127535D+01
      2  -0.373639D+01 -0.328000D+01 -0.357814D+00 -0.379343D+01 -0.354714D+01
      3  -0.518989D+00  0.155225D+00  0.259130D+01  0.319915D+02 -0.144523D+02
                96            97            98            99           100 
      1  -0.311169D+01  0.303184D+01  0.503624D+01 -0.179086D+01 -0.924783D+00
      2  -0.643396D+01 -0.160413D+02 -0.678832D+01  0.156056D+02  0.152913D+01
      3  -0.278861D+00  0.154560D+01  0.486253D+01  0.500569D+01  0.117172D+02
               101           102           103           104           105 
      1  -0.538441D+01 -0.478921D+01 -0.751946D+00 -0.459043D+00  0.162965D+01
      2   0.304406D+01  0.418056D+01  0.208320D+01  0.138322D+01  0.119674D+02
      3  -0.130878D+02 -0.440422D+01 -0.720548D+01  0.170784D+01  0.267381D+01
               106           107           108           109           110 
      1  -0.625044D+01  0.269037D+00 -0.377915D+01  0.416200D+01  0.295976D+01
      2  -0.338997D+01  0.852051D+01 -0.175475D+02  0.969650D+01 -0.260682D+01
      3  -0.869047D+01  0.114007D+02 -0.513410D+01 -0.591955D+00 -0.492777D+01
               111           112           113           114           115 
      1   0.378891D+01 -0.213048D+00  0.615298D+00 -0.622274D+01  0.378974D+01
      2   0.925279D+01 -0.780900D+00  0.769562D+01 -0.102086D+02  0.422430D+01
      3   0.454830D+00 -0.378636D+01  0.114852D+02 -0.793417D+01  0.102443D+02
               116           117           118           119           120 
      1   0.507055D+01  0.111681D+02 -0.352086D+01  0.300486D+01  0.226863D+00
      2  -0.591154D+01  0.302720D+02 -0.553648D+01 -0.656658D+00  0.244074D+00
      3  -0.176595D+02  0.522662D+01 -0.967130D+00  0.665803D+01  0.401576D+01
               121           122           123           124           125 
      1   0.122186D+01 -0.535306D+01 -0.312754D+01 -0.245936D+01  0.736413D+01
      2  -0.210460D+01 -0.500018D+01 -0.195164D+01 -0.222780D+01 -0.672109D+01
      3   0.745681D+01 -0.118038D+02  0.341732D+01 -0.219934D+01  0.891315D+01
               126           127           128           129           130 
      1  -0.652740D+01 -0.159277D+01 -0.188155D+01  0.940471D+00 -0.189285D+00
      2  -0.145330D+02  0.462451D+01  0.859196D+00 -0.126834D+01  0.266668D+00
      3   0.765743D+01 -0.209791D+00 -0.842414D+00  0.727558D+00  0.993504D+00
               131           132           133           134           135 
      1  -0.134099D+01 -0.111652D+00  0.295106D+01  0.547500D+01 -0.458331D+01
      2  -0.156633D+00  0.563209D+00 -0.490641D+01 -0.666651D+00 -0.158182D+01
      3  -0.394464D+00  0.237774D+00  0.782492D+00  0.212869D+01 -0.151457D+01
               136           137           138           139           140 
      1  -0.255398D+01  0.302873D+01 -0.708441D+00  0.934635D+00 -0.118787D+01
      2  -0.833666D+01  0.200990D+01 -0.133533D+01  0.213551D+01 -0.515289D+00
      3   0.653377D+00 -0.153990D+01  0.679349D+00  0.810812D+00  0.110098D+01
               141           142           143           144           145 
      1  -0.677215D+00 -0.177539D+01  0.389447D+01 -0.270370D+01  0.167521D+01
      2  -0.351254D-01 -0.387381D+01  0.315817D+00  0.846171D+00  0.432244D+01
      3  -0.271012D+00  0.713706D+00 -0.247822D+01  0.170023D+01  0.279056D+01
               146           147           148           149           150 
      1  -0.102286D+01 -0.216602D+01  0.102880D+01 -0.364451D-01 -0.349204D+01
      2   0.530170D+00 -0.118714D+01  0.434019D+00 -0.126140D+00  0.552601D+00
      3   0.184257D-01 -0.207580D+01  0.165494D+01 -0.338571D+00 -0.608917D+00
               151           152           153           154           155 
      1  -0.156000D+01  0.237520D+01  0.545601D+01  0.238124D+01  0.146261D+01
      2  -0.429872D+01 -0.327964D+00 -0.106906D+01 -0.547767D+01  0.474394D+00
      3  -0.228580D+01  0.841274D+00  0.179364D+01 -0.504774D+01 -0.648995D+00
               156           157           158           159           160 
      1   0.216349D+01 -0.126050D+01  0.192766D+00 -0.356921D+01  0.220257D+01
      2  -0.757101D+00  0.107403D+01  0.192567D+00 -0.926278D+00 -0.308997D+01
      3  -0.241967D+01  0.369391D+01  0.657339D+00  0.929104D+00 -0.293896D+01
               161           162           163           164           165 
      1   0.152801D+01  0.400978D+01 -0.147196D+01 -0.596718D+00  0.113084D+01
      2  -0.151100D+00  0.194191D+01 -0.574866D+01  0.491687D+00  0.481506D+01
      3  -0.129687D+01 -0.170657D+01 -0.161703D+01 -0.332690D+01  0.771515D+00
               166           167           168           169           170 
      1   0.184410D-01 -0.321536D+00 -0.725495D+00  0.228022D+01  0.209884D+01
      2   0.643061D+00 -0.160005D+01  0.347798D+00  0.202613D+01 -0.372921D+01
      3  -0.325717D+01  0.381776D+00  0.208614D+01  0.293784D+01  0.386216D+01
               171           172           173           174           175 
      1  -0.642339D+01  0.112955D+01 -0.107728D+01  0.138153D+01 -0.154428D+01
      2  -0.205453D+02  0.473330D+01 -0.148443D+01  0.319841D+01 -0.228856D+01
      3   0.188311D+00  0.101484D+01 -0.651205D+01 -0.249550D+00 -0.401072D+01
               176           177           178           179           180 
      1   0.360785D+01 -0.327603D+01  0.151944D+01 -0.119172D+01  0.105993D+01
      2   0.562549D+01 -0.349584D+01  0.345432D+01 -0.409447D+01  0.901228D+00
      3   0.183329D+02 -0.210086D+01 -0.323197D+01 -0.612592D+01  0.199782D+01
               181           182           183           184           185 
      1  -0.200135D+01 -0.130733D+01  0.868328D+00 -0.823185D+00 -0.299112D+00
      2   0.759810D+01  0.412552D+00 -0.451133D+01  0.148051D+01  0.399558D+01
      3   0.191591D+01  0.227866D+01  0.391819D+00  0.501526D+01 -0.787833D+00
               186           187           188           189           190 
      1  -0.347697D+00  0.148379D+01  0.333936D+01 -0.407087D+01 -0.135732D+00
      2  -0.682214D+00 -0.844272D+01 -0.106441D+01  0.301564D+02 -0.106923D+01
      3  -0.322183D+01 -0.941236D-02 -0.348592D+01 -0.104726D+00 -0.264708D+02
               191           192           193           194           195 
      1   0.267926D+00  0.218696D+01 -0.552175D-01 -0.111181D+01 -0.114639D+01
      2   0.583424D+00 -0.341099D+00  0.651898D+00  0.112116D+01  0.252521D+00
      3   0.613780D+01  0.849731D+00  0.704960D+01 -0.442085D+01 -0.136300D+01
               196           197           198           199           200 
      1   0.231221D+01  0.339884D+00  0.560903D+00  0.237289D+01 -0.804858D-01
      2  -0.371955D+01  0.123577D+01 -0.850921D+00 -0.366995D+01 -0.105889D+01
      3   0.103488D+01 -0.245714D+01 -0.294425D+01 -0.255461D+01 -0.323296D+01
               201           202           203           204           205 
      1  -0.270383D+01  0.243914D+00  0.133713D+01 -0.220445D+01 -0.282411D+01
      2   0.459736D+01 -0.412680D+00 -0.261936D+01  0.175357D+01  0.873370D+00
      3  -0.636192D+00 -0.641522D+00 -0.165472D+01  0.260311D+01 -0.209104D+01
               206           207           208           209           210 
      1  -0.301989D+00  0.150133D+02 -0.273552D+01 -0.206749D+01 -0.359097D+01
      2   0.612779D+01 -0.225479D+02  0.359121D+01  0.291077D+01  0.449915D+01
      3   0.673138D+01 -0.498688D+01 -0.463644D+01 -0.820770D+01 -0.454043D+00
               211           212           213           214           215 
      1  -0.336534D+01 -0.570537D+01 -0.567200D+01 -0.346433D+01 -0.346109D+01
      2   0.320472D+01  0.765447D+01  0.574644D+01  0.365890D+01  0.685224D+01
      3  -0.362298D+01 -0.190578D+02 -0.506747D+01 -0.638968D+00 -0.974838D+01
               216           217           218           219           220 
      1  -0.358423D+01  0.291028D+00 -0.463150D+00 -0.655834D-01  0.376030D-01
      2   0.451059D+01 -0.979181D+01  0.276961D+00  0.109513D+02  0.472885D-01
      3  -0.444507D+01 -0.645515D+00 -0.436073D+01 -0.372976D+00 -0.538416D+01
               221           222           223           224           225 
      1   0.697051D-01 -0.777992D+00 -0.557664D+00  0.242584D+01  0.915606D+00
      2  -0.300524D+01  0.561960D+00  0.157527D+02 -0.740336D-01 -0.358651D+02
      3   0.997325D+00  0.276310D+01 -0.788918D+00  0.588639D+01 -0.174156D+00
               226           227           228           229           230 
      1  -0.777266D+00  0.700554D+00  0.391388D+00  0.806400D+00 -0.248019D+01
      2   0.465040D+01 -0.252099D+01  0.516759D+01 -0.381389D+01  0.103965D+02
      3   0.101645D+02 -0.112137D+02  0.305555D+01 -0.148976D+02  0.335964D+02
               231           232           233           234           235 
      1  -0.152515D+01 -0.281057D+00  0.177153D+01  0.113342D+00  0.269012D+00
      2  -0.911688D+01  0.688728D+01 -0.758623D+01  0.597888D+01  0.838671D+01
      3  -0.108328D+02  0.426585D+01 -0.120749D+02  0.740512D+01 -0.126724D+02
               236           237           238           239           240 
      1   0.830214D+00 -0.873253D+00  0.464451D+00  0.121801D+01 -0.140107D+01
      2   0.410538D+01  0.891898D+01  0.651468D+01  0.945615D+01  0.948309D+01
      3  -0.125917D+02 -0.465935D+01 -0.168286D+02 -0.204287D+02 -0.102178D+02
               241           242           243           244           245 
      1  -0.533829D+00  0.149341D+01 -0.660045D+00  0.427952D+00 -0.383810D+00
      2   0.112651D+02  0.742476D+01  0.903345D+01 -0.597695D+01 -0.510510D-01
      3  -0.653072D+01 -0.116272D+02 -0.745821D+01 -0.261528D+01 -0.193267D+01
               246           247           248           249           250 
      1  -0.837581D+00 -0.133467D+00  0.143248D+00 -0.870877D+00 -0.132252D+01
      2   0.373916D+01  0.171905D+00 -0.283322D+01  0.422537D+01  0.146485D+01
      3  -0.569732D+00 -0.118847D+01 -0.119181D+01  0.308290D+01 -0.109043D+01
               251           252           253           254           255 
      1   0.259337D+01  0.338837D+01 -0.230796D+01  0.112556D+01 -0.239246D+01
      2   0.359147D+01 -0.195312D+02  0.144489D+02  0.368058D+01  0.640066D+01
      3   0.379507D+01 -0.213182D+01 -0.153800D+02 -0.158012D+02  0.122615D+00
               256           257           258           259           260 
      1  -0.145789D+01 -0.643579D+01 -0.396177D+01 -0.792430D+00  0.148875D+01
      2   0.476175D+01  0.526515D+01  0.607249D+01  0.404748D+01  0.514839D+01
      3  -0.723422D+01  0.208802D+02 -0.412073D+01  0.693447D+00 -0.687176D+01
               261           262           263           264           265 
      1   0.926811D+01  0.952148D+00 -0.179356D+01  0.456349D+00 -0.272985D+01
      2  -0.186004D+02 -0.581381D+00  0.139637D+00  0.105812D+01 -0.167715D+00
      3  -0.445912D+01  0.297783D+01 -0.456788D+01 -0.174985D+01 -0.416532D+01
               266           267           268           269           270 
      1   0.879463D+01 -0.162251D+01  0.508473D+00 -0.136744D+01  0.801985D+00
      2  -0.269795D+01 -0.466491D+01  0.313078D+00 -0.173728D+01 -0.881875D+00
      3   0.260918D+02  0.471021D+01  0.141140D+01 -0.460965D+01  0.159390D+01
               271           272           273           274           275 
      1   0.113555D+01  0.535828D+00 -0.220086D+01  0.952150D+00  0.702674D+00
      2  -0.796297D+01 -0.288470D+00  0.751305D+01 -0.993682D+00 -0.163845D+01
      3   0.147674D+02 -0.551895D+01 -0.110188D+01 -0.380201D+01 -0.208394D+00
               276           277           278           279           280 
      1  -0.162367D+00 -0.226851D+01  0.633596D+00 -0.173157D+00  0.155400D+01
      2  -0.621645D+00  0.471805D+01 -0.171026D+00 -0.264251D+00 -0.117165D+01
      3   0.100223D+01 -0.113739D+01  0.194025D+01  0.198433D+01 -0.586860D+01
               281           282           283           284           285 
      1  -0.865924D+00  0.168964D+01 -0.425607D+00  0.528844D+01 -0.397520D+01
      2  -0.980541D+00 -0.129644D+01 -0.794915D+00 -0.224775D+00  0.291616D+01
      3   0.869605D+01 -0.319225D+00  0.527597D+01 -0.316067D+02  0.843313D+00
               286           287           288           289           290 
      1   0.831309D+00 -0.141663D+01  0.528095D+00 -0.191748D+01 -0.592187D+00
      2  -0.174030D+01  0.306836D+01  0.443718D+00  0.458110D+01  0.277295D-01
      3  -0.126065D+01  0.417741D+01 -0.348751D+01  0.159870D+01  0.108851D+01
               291           292           293           294           295 
      1   0.624375D+00 -0.269126D+00 -0.255160D+01  0.985262D+00 -0.204574D+00
      2  -0.179486D+01  0.133464D+01  0.240526D+01 -0.293924D+01 -0.182135D+01
      3   0.118577D+01  0.114465D+01  0.641257D+00 -0.206599D+01  0.147733D+01
               296           297 
      1   0.325717D+01 -0.116014D+02
      2   0.182547D+00  0.252639D+02
      3  -0.427935D+01  0.614847D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.999930D+00 -0.871270D+01  0.226778D+02  0.154035D+02 -0.278316D+01
      2   0.620553D+01  0.384536D+01 -0.837807D+01 -0.343741D+01  0.432593D+01
      3  -0.520560D+01  0.486734D+01 -0.142997D+02 -0.119661D+02 -0.154277D+01
      4  -0.194323D+01  0.214380D+01  0.554052D+00  0.819335D+01  0.453464D+01
      5   0.206161D+02  0.111339D+01 -0.694869D+01 -0.511944D+01 -0.237231D+01
      6  -0.191145D+00 -0.271334D+01  0.152494D+01 -0.927806D+00  0.411331D+01
                 6             7             8             9            10 
      1  -0.171847D+02 -0.213813D+02 -0.986605D+01  0.691522D+01  0.468661D+02
      2   0.123692D+01  0.297644D+01  0.214042D+01  0.342829D+01 -0.177938D+02
      3   0.159478D+02  0.184049D+02  0.772563D+01 -0.103435D+02 -0.290722D+02
      4  -0.395405D+01  0.359426D+01 -0.184579D+01 -0.480358D+01 -0.110624D+02
      5  -0.432183D+01  0.930581D+01 -0.449949D+01  0.598980D+01 -0.490135D+01
      6   0.115594D+02 -0.720687D+01  0.445848D+01  0.142627D+02  0.248182D+01
                11            12            13            14            15 
      1   0.733560D+01 -0.106930D+01  0.980193D+01 -0.140919D+01  0.751848D+01
      2  -0.601867D+01  0.262348D+01 -0.906957D+01  0.720419D+01 -0.944678D+00
      3  -0.131692D+01 -0.155418D+01 -0.732355D+00 -0.579500D+01 -0.657380D+01
      4   0.277244D+01 -0.289691D+01  0.170243D+02 -0.482593D+01 -0.693766D+00
      5  -0.342184D+01  0.641327D+01  0.111046D+02 -0.603884D+00 -0.146437D+01
      6   0.139833D+00 -0.585761D+01 -0.475096D+01  0.396703D+01  0.778739D+01
                16            17            18            19            20 
      1  -0.107757D+02  0.765681D+01 -0.213571D+02 -0.955159D+00  0.595749D+01
      2  -0.468006D+00  0.393733D+01  0.321209D+01 -0.172388D+01 -0.228960D+01
      3   0.112437D+02 -0.115941D+02  0.181450D+02  0.267904D+01 -0.366790D+01
      4   0.146999D+02  0.130353D+01 -0.232536D+01  0.426114D+01 -0.417607D+00
      5  -0.157614D+02 -0.172166D+01 -0.367326D+01 -0.183806D+02  0.220618D+01
      6  -0.420621D+01  0.192970D+01 -0.535176D+01  0.310379D+01  0.426504D+01
                21            22            23            24            25 
      1  -0.266368D+02 -0.870980D+01 -0.505220D+01 -0.613166D+01  0.228053D+02
      2   0.759880D+01 -0.195987D+01  0.705964D+01  0.358904D-01 -0.648566D+00
      3   0.190380D+02  0.106697D+02 -0.200744D+01  0.609577D+01 -0.221568D+02
      4   0.174168D+01  0.380245D+01 -0.157309D+01  0.366761D+01  0.407497D+01
      5  -0.183459D+01  0.914501D+00  0.198219D+01  0.631608D+01  0.120445D+02
      6   0.352537D+01  0.303267D+01  0.228390D+01  0.697168D+01  0.998340D+01
                26            27            28            29            30 
      1  -0.906825D+01  0.963258D+01  0.119464D+02  0.221791D+00  0.727920D+00
      2   0.219981D+01 -0.251831D+01 -0.183790D+01  0.423264D+01  0.758957D+00
      3   0.686844D+01 -0.711427D+01 -0.101085D+02 -0.445443D+01 -0.148688D+01
      4   0.331590D+01  0.719182D+01  0.234783D+02  0.260789D+01 -0.138863D+01
      5   0.526561D+01 -0.458888D+01  0.221783D+01 -0.754443D+00  0.687689D+01
      6   0.180883D+01  0.105153D+02  0.335480D+01 -0.119487D+01  0.364777D+01
                31            32            33            34            35 
      1  -0.526540D+00 -0.178462D+01  0.871283D+01 -0.969917D+01  0.102486D+02
      2   0.645383D+01  0.486151D+01 -0.228719D+01  0.188136D+01  0.244562D+01
      3  -0.592729D+01 -0.307688D+01 -0.642564D+01  0.781781D+01 -0.126942D+02
      4   0.155251D+02 -0.923189D-01  0.182440D+01  0.111896D+02  0.485656D+01
      5   0.123657D+02  0.600991D+00  0.113631D+01 -0.184168D+02  0.202779D+01
      6  -0.118235D+01  0.402859D+01  0.625941D+01 -0.169227D+01  0.210399D+01
                36            37            38            39            40 
      1  -0.238903D+02  0.112155D+02 -0.128473D+02  0.247110D+02  0.348839D+01
      2   0.435427D+01  0.474109D-01  0.995632D+01 -0.116290D+02  0.494042D+01
      3   0.195360D+02 -0.112629D+02  0.289094D+01 -0.130820D+02 -0.842881D+01
      4   0.970648D-01 -0.103609D+02 -0.917157D+00  0.413790D+01  0.140805D+02
      5  -0.256888D+01  0.151056D+02  0.207541D+01 -0.855053D+01 -0.291532D+01
      6  -0.736547D+01  0.557009D-01 -0.472064D+01  0.552449D+01 -0.564513D+00
                41            42            43            44            45 
      1  -0.101466D+02 -0.840131D+01 -0.167452D+02 -0.595944D+01  0.109562D+02
      2   0.157535D+02 -0.930662D+01  0.164987D+01 -0.247096D+01 -0.144654D+01
      3  -0.560687D+01  0.177079D+02  0.150953D+02  0.843040D+01 -0.950964D+01
      4   0.638749D+01 -0.304627D+01 -0.396996D+01 -0.212807D+01 -0.616993D+01
      5  -0.164286D+01 -0.305245D+01  0.763914D+01 -0.564265D+01  0.794008D+01
      6  -0.550421D+01  0.544646D+01 -0.926789D+01  0.206411D+00  0.917750D+01
                46            47            48            49            50 
      1  -0.998549D+01  0.943450D+01 -0.257512D+02 -0.586791D+01 -0.147908D+02
      2   0.281098D+01 -0.694735D+01  0.828274D+01 -0.574712D+01  0.209631D+02
      3   0.717451D+01 -0.248715D+01  0.174684D+02  0.116150D+02 -0.617230D+01
      4   0.997465D+01  0.761765D-01  0.370376D+01  0.543144D+01 -0.624708D+01
      5  -0.157137D+02  0.440085D+01 -0.336647D+01  0.489253D+01  0.184771D+01
      6   0.348956D+01  0.417097D+01 -0.425105D+01 -0.252110D+00 -0.493993D+01
                51            52            53            54            55 
      1   0.149614D+01  0.349857D+02 -0.518546D+01  0.106876D+02 -0.360254D+02
      2  -0.945758D+01 -0.831172D+01 -0.793071D-01 -0.527653D+01  0.121653D+02
      3   0.796144D+01 -0.266740D+02  0.526477D+01 -0.541102D+01  0.238601D+02
      4   0.128372D+01 -0.438369D+01 -0.396464D+00  0.751024D+01  0.442941D+00
      5   0.632541D+01  0.482105D+01  0.643940D+01 -0.681754D+01 -0.406408D+01
      6   0.400096D+01  0.110977D+02 -0.269169D+01  0.808847D+01  0.181804D+01
                56            57            58            59            60 
      1  -0.108813D+02 -0.448475D+01 -0.380172D+02 -0.292212D+02 -0.491274D+01
      2   0.808637D+01 -0.963833D+00  0.264559D+02  0.317483D+01  0.474685D+01
      3   0.279495D+01  0.544858D+01  0.115613D+02  0.260464D+02  0.165898D+00
      4  -0.233231D+02 -0.396326D+00 -0.495932D+02  0.244277D+02 -0.120710D+02
      5  -0.870431D+00 -0.964711D+01 -0.499792D+01 -0.124340D+02  0.886993D+00
      6   0.538246D+00  0.172603D+01 -0.640554D-01  0.368806D+01 -0.770938D-01
                61            62            63            64            65 
      1  -0.286155D+02 -0.762280D+01 -0.723367D+01 -0.487571D+02  0.154499D+02
      2   0.509578D+01  0.748890D+01  0.115963D+02  0.310198D+02 -0.337958D+01
      3   0.235197D+02  0.133909D+00 -0.436265D+01  0.177374D+02 -0.120703D+02
      4  -0.492871D+01 -0.204495D+02  0.592086D+01  0.165680D+02  0.267609D+02
      5  -0.235384D+02  0.315026D+01  0.367524D+02  0.170378D+00  0.306974D+01
      6   0.359052D+01 -0.165097D+01 -0.692204D+01  0.693623D+00 -0.178577D+01
                66            67            68            69            70 
      1  -0.149057D+01  0.511503D+02  0.473311D+02  0.713204D+00  0.203680D+02
      2  -0.211874D+01 -0.218785D+02 -0.258296D+02  0.152061D+01 -0.863068D+01
      3   0.360931D+01 -0.292717D+02 -0.215015D+02 -0.223381D+01 -0.117374D+02
      4   0.260821D+01  0.433857D+02 -0.124942D+02  0.156590D+02  0.683225D+01
      5   0.173202D+02  0.772397D+01  0.179671D+02  0.292696D+01  0.313420D+02
      6   0.272363D+01  0.231581D+01  0.406589D+01 -0.187681D+00  0.256745D+01
                71            72            73            74            75 
      1   0.261586D+01  0.329002D+02  0.508381D+02 -0.613396D+01 -0.792271D+01
      2   0.249930D+01 -0.759343D+01 -0.353058D+02 -0.809165D+01  0.136944D+00
      3  -0.511516D+01 -0.253067D+02 -0.155322D+02  0.142256D+02  0.778576D+01
      4   0.201331D+02  0.533106D+01 -0.300292D+01 -0.304489D+02 -0.753641D+01
      5   0.459231D+01 -0.530739D+02 -0.758756D+01 -0.511212D+01 -0.122177D+02
      6   0.331910D+01 -0.626518D+01 -0.673299D+01 -0.238715D+01 -0.860869D+01
                76            77            78            79            80 
      1  -0.120630D+02 -0.310799D+02  0.306952D+01 -0.116367D+02  0.226938D+01
      2  -0.614377D+01  0.119675D+02 -0.115964D+02 -0.136840D+01 -0.147294D+02
      3   0.182068D+02  0.191123D+02  0.852688D+01  0.130051D+02  0.124601D+02
      4  -0.353701D+02 -0.133347D+02 -0.206114D+02 -0.909852D+01 -0.287565D+02
      5  -0.632517D+01 -0.202764D+02 -0.876845D+01 -0.195350D+02 -0.139889D+02
      6  -0.523567D+01 -0.160932D+02 -0.467261D+01 -0.105172D+02 -0.870468D+01
                81            82            83            84            85 
      1  -0.806625D+01  0.557351D+02 -0.183727D+02 -0.527294D+01 -0.297233D+02
      2   0.778840D+01 -0.301055D+02  0.868581D+01  0.120155D+01  0.142040D+02
      3   0.277848D+00 -0.256296D+02  0.968689D+01  0.407139D+01  0.155193D+02
      4  -0.188237D+02 -0.210719D+02 -0.385568D+02 -0.558193D+01 -0.585761D+02
      5   0.386862D+02 -0.849727D+01 -0.607389D+01 -0.323270D+02 -0.104684D+02
      6   0.194542D+02 -0.163160D+01 -0.468676D+01 -0.198822D+01 -0.868964D+01
                86            87            88            89            90 
      1  -0.515424D+02 -0.666647D+01 -0.148886D+02 -0.595622D+01 -0.421721D+02
      2   0.250042D+02  0.259590D+01  0.384495D+01  0.205254D+01  0.234957D+02
      3   0.265382D+02  0.407056D+01  0.110436D+02  0.390368D+01  0.186764D+02
      4   0.218593D+02 -0.400688D+02 -0.950169D+01 -0.390988D+02 -0.479764D+01
      5  -0.429827D+02 -0.422679D+01 -0.502334D+02 -0.380130D+01  0.477010D+02
      6   0.409768D+00 -0.481062D+01 -0.311967D+01 -0.491403D+01  0.126562D+01
                91            92            93            94            95 
      1   0.147528D+02 -0.546355D+01 -0.193805D+01 -0.984772D+01 -0.177516D+02
      2  -0.973873D+01 -0.134957D+01 -0.871910D+00  0.356197D+01  0.788466D+01
      3  -0.501404D+01  0.681313D+01  0.280996D+01  0.628575D+01  0.986693D+01
      4  -0.202098D+02 -0.150922D+02 -0.709578D+01 -0.393809D+02  0.131487D+02
      5  -0.673408D+01 -0.627514D+01 -0.864635D+01 -0.119877D+02 -0.334719D+01
      6  -0.375220D+01 -0.203977D+01 -0.394790D+01 -0.229002D+01 -0.482583D+01
                96            97            98            99           100 
      1  -0.614495D+01 -0.149953D+02 -0.763549D+01 -0.204935D+01 -0.668490D+01
      2   0.165403D+00 -0.156890D+00 -0.129371D+01  0.734411D+01  0.164068D+01
      3   0.597955D+01  0.151522D+02  0.892920D+01 -0.529477D+01  0.504422D+01
      4  -0.297604D+01 -0.171155D+02 -0.143549D+02 -0.158652D+02  0.120917D+02
      5  -0.127399D+02 -0.153654D+02 -0.145782D+02  0.309466D+02 -0.161660D+02
      6  -0.259974D+01 -0.760036D+01 -0.308756D+01  0.866743D+01  0.514117D+01
               101           102           103           104           105 
      1   0.517781D+01 -0.820236D+01  0.182345D+02  0.455622D+01  0.913238D+01
      2  -0.111280D+00  0.568010D+01 -0.124290D+02 -0.464134D+00 -0.310079D+01
      3  -0.506653D+01  0.252226D+01 -0.580546D+01 -0.409209D+01 -0.603160D+01
      4  -0.209431D+01  0.644577D+01 -0.221809D+01 -0.123734D+02 -0.242256D+01
      5   0.566784D+01 -0.384795D+01  0.757773D+01 -0.243844D+01  0.224197D+02
      6  -0.530950D+01  0.614424D+01 -0.121984D+01 -0.149284D+01 -0.143486D+02
               106           107           108           109           110 
      1  -0.227048D+02  0.936566D+01 -0.544874D+01  0.441633D+02 -0.126835D+02
      2   0.910873D+01  0.130427D+01  0.333835D+01 -0.213080D+02  0.386136D+01
      3   0.135961D+02 -0.106699D+02  0.211040D+01 -0.228553D+02  0.882211D+01
      4   0.180002D+02 -0.157981D+02  0.185874D+02 -0.241859D+02  0.206697D+02
      5  -0.186279D+02  0.161265D+02 -0.254622D+02  0.311658D+02 -0.596842D+01
      6   0.103513D+02 -0.163778D+02  0.689043D+01 -0.108573D+02  0.394049D+01
               111           112           113           114           115 
      1   0.243314D+02 -0.151769D+02  0.381817D+01 -0.175628D+01  0.384977D+02
      2  -0.144027D+02  0.224475D+01  0.815468D+01 -0.132126D+01 -0.194365D+02
      3  -0.992870D+01  0.129322D+02 -0.119729D+02  0.307754D+01 -0.190612D+02
      4  -0.990058D+01  0.258195D+02 -0.234382D+02  0.180253D+02 -0.229259D+02
      5   0.231760D+02 -0.118715D+02  0.173431D+02 -0.193096D+02  0.352995D+02
      6  -0.779535D+01  0.592012D+01 -0.113906D+02  0.177421D+02 -0.107888D+02
               116           117           118           119           120 
      1  -0.324264D+01  0.111198D+02  0.313874D+00 -0.905695D+01 -0.125321D+02
      2  -0.353196D+01 -0.153180D+02 -0.330785D+01  0.116842D+02  0.775823D+01
      3   0.677460D+01  0.419825D+01  0.299398D+01 -0.262722D+01  0.477388D+01
      4   0.307277D+02 -0.176018D+02  0.152066D+01 -0.670240D+01  0.346004D+01
      5  -0.158969D+02  0.592915D+02 -0.812138D+01 -0.965290D+00  0.587715D+01
      6   0.156319D+02 -0.274845D+02  0.344811D+01  0.513265D+01  0.123347D+01
               121           122           123           124           125 
      1  -0.285885D+01 -0.728125D+01 -0.568754D+01 -0.119713D+02 -0.775718D+01
      2   0.111519D+02 -0.116715D+02  0.274563D+01  0.632390D+01  0.804633D+01
      3  -0.829303D+01  0.189527D+02  0.294192D+01  0.564740D+01 -0.289149D+00
      4  -0.872739D+01  0.361383D+02 -0.422384D+01  0.123892D+02 -0.180826D+02
      5   0.161314D+01 -0.344692D+01 -0.451645D+01  0.160004D+02 -0.161733D+02
      6   0.266685D+01  0.264368D+01  0.104338D+02 -0.571233D+01  0.195548D+02
               126           127           128           129           130 
      1  -0.944959D+01 -0.819436D+00 -0.238628D+00  0.324236D+01 -0.301845D+01
      2  -0.621549D+01 -0.530386D+01 -0.117546D+01  0.520087D+01 -0.660962D+00
      3   0.156651D+02  0.612329D+01  0.141409D+01 -0.844323D+01  0.367941D+01
      4  -0.143760D+02  0.714911D+00  0.211439D+01 -0.865787D+00  0.124710D+01
      5  -0.318796D+02 -0.914467D+01 -0.259865D+01  0.116061D+02 -0.294834D+01
      6   0.215098D+02  0.947666D-01 -0.183538D+01 -0.448744D+00 -0.136384D+01
               131           132           133           134           135 
      1  -0.384720D+01  0.777455D+01  0.355109D+01  0.464690D+01 -0.244923D+02
      2  -0.678315D+00  0.297558D+01  0.644443D+01  0.192420D+01 -0.143873D+02
      3   0.452552D+01 -0.107501D+02 -0.999551D+01 -0.657110D+01  0.388796D+02
      4   0.101165D+01 -0.156123D+01 -0.217758D+01 -0.348192D+01  0.191769D+01
      5  -0.294403D+01  0.434241D+01  0.116309D+02  0.399169D+01 -0.186935D+02
      6  -0.337489D+01  0.273944D+01  0.100060D+01  0.574606D+01 -0.254275D+01
               136           137           138           139           140 
      1   0.404340D+01 -0.374543D+00 -0.135274D+01 -0.235543D+00 -0.190476D+01
      2  -0.597031D+01  0.951868D+00 -0.426716D+01  0.210397D+01 -0.539036D+00
      3   0.192691D+01 -0.577325D+00  0.561990D+01 -0.186843D+01  0.244379D+01
      4  -0.303215D+01  0.386562D+01 -0.120692D+01  0.251736D+01 -0.303221D+01
      5   0.117873D+02 -0.302993D+01  0.996088D+01 -0.452556D+01  0.343568D+01
      6  -0.528681D+00  0.192776D+01 -0.709502D+00  0.898708D+00 -0.302947D+01
               141           142           143           144           145 
      1   0.493111D+01 -0.354152D+01  0.418527D+01 -0.124419D+02 -0.279250D+01
      2   0.197239D+01 -0.539648D+01  0.100940D+01 -0.846201D+01 -0.274411D+01
      3  -0.690350D+01  0.893800D+01 -0.519467D+01  0.209039D+02  0.553661D+01
      4   0.156153D+01 -0.157203D+01  0.303619D+01 -0.263780D+01  0.537861D+01
      5  -0.549884D+01  0.123772D+02 -0.434531D+01  0.159210D+02 -0.921473D+01
      6   0.232071D+01 -0.177568D+01  0.476578D+01 -0.339608D+01 -0.576783D+01
               146           147           148           149           150 
      1  -0.182589D+01  0.534379D+01 -0.303089D+01 -0.543864D+01  0.938974D+01
      2   0.466643D+00  0.286247D+01 -0.255401D+00  0.137507D+01 -0.604407D-01
      3   0.135924D+01 -0.820626D+01  0.328629D+01  0.406356D+01 -0.932929D+01
      4   0.367719D+01 -0.535985D+01  0.252724D+01  0.217481D+01 -0.312986D+01
      5  -0.353643D+01  0.119034D+02 -0.335992D+01 -0.308886D+01  0.442922D+01
      6  -0.357171D+01  0.602964D+01 -0.326023D+01 -0.617980D+01  0.942889D+01
               151           152           153           154           155 
      1   0.763592D+01  0.109157D+02 -0.300160D+02  0.253002D+01  0.244417D+01
      2   0.225397D+01 -0.309242D+01 -0.615326D+01 -0.324806D+01 -0.243982D+01
      3  -0.988989D+01 -0.782329D+01  0.361692D+02  0.718037D+00 -0.435233D-02
      4  -0.578233D+01 -0.512212D+01  0.790062D+01 -0.107333D+02  0.734654D+01
      5   0.111254D+02  0.528995D+01 -0.180298D+02  0.156219D+02 -0.588289D+01
      6   0.829531D+01  0.127202D+02 -0.233295D+02 -0.901930D+01  0.580469D+01
               156           157           158           159           160 
      1  -0.181309D+01  0.746769D+00 -0.400803D+01  0.573061D+01 -0.400296D+01
      2  -0.239003D+01  0.531070D+00  0.216647D+01 -0.507055D+00 -0.269848D+01
      3   0.420312D+01 -0.127784D+01  0.184156D+01 -0.522355D+01  0.670144D+01
      4  -0.823649D+01  0.529602D+01 -0.569239D+01  0.590952D+01 -0.871760D+01
      5   0.136930D+02 -0.677043D+01  0.526145D+01 -0.790805D+01  0.150617D+02
      6  -0.848657D+01  0.537089D+01 -0.657032D+01  0.868161D+01 -0.101491D+02
               161           162           163           164           165 
      1   0.831533D+01 -0.157847D+02  0.618049D+01  0.284416D+00 -0.782969D+01
      2  -0.385262D+01 -0.283083D+01 -0.733159D+01 -0.637032D+00  0.650772D+01
      3  -0.446271D+01  0.186155D+02  0.115110D+01  0.352617D+00  0.132197D+01
      4   0.723483D+01 -0.106017D+02 -0.187450D+01  0.664409D+01  0.396263D+01
      5  -0.756424D+01  0.203167D+02 -0.139001D+02  0.243515D+01  0.142445D+02
      6   0.115754D+02 -0.183484D+02  0.232204D+01 -0.129009D+01 -0.222301D+01
               166           167           168           169           170 
      1   0.768422D+01  0.188229D+01 -0.172817D+01 -0.140391D+02 -0.312594D+01
      2  -0.490511D+01 -0.923757D+00  0.135176D+01  0.130253D+02  0.496002D+00
      3  -0.277911D+01 -0.958536D+00  0.376409D+00  0.101372D+01  0.262993D+01
      4   0.768249D+01 -0.421733D+01 -0.513612D+01  0.537552D+01 -0.801207D+01
      5  -0.293451D+00 -0.541388D+01  0.353577D+00  0.216475D+02 -0.777097D+01
      6  -0.167528D+01  0.170648D+01  0.531282D+01 -0.497294D+01  0.635389D+01
               171           172           173           174           175 
      1  -0.579895D+01  0.208380D+02 -0.889014D+01  0.391893D+01 -0.134633D+02
      2  -0.135691D+02 -0.382620D+01 -0.515393D+00 -0.895441D+00 -0.308447D+01
      3   0.193681D+02 -0.170118D+02  0.940553D+01 -0.302348D+01  0.165477D+02
      4  -0.106015D+02 -0.215577D+02  0.229441D+02 -0.175028D+01  0.339314D+02
      5  -0.443847D+02  0.471984D+01 -0.481567D+00  0.483338D+01 -0.868869D+00
      6   0.121667D+02 -0.109650D+01 -0.195614D+00 -0.126669D+01  0.309533D+00
               176           177           178           179           180 
      1  -0.306330D+00  0.596469D+00  0.180141D+02  0.155798D+01  0.168768D+01
      2   0.215946D+02 -0.269761D+01 -0.544896D+01 -0.483477D+01 -0.986551D-02
      3  -0.212883D+02  0.210114D+01 -0.125651D+02  0.327679D+01 -0.167782D+01
      4  -0.519765D+02  0.613545D+01 -0.819485D+01  0.144865D+02 -0.902079D+01
      5   0.549245D+01 -0.564283D+01  0.882379D+01 -0.780550D+01  0.222633D+01
      6  -0.117053D+01  0.447060D+01 -0.339195D+01  0.556978D+01 -0.208322D+01
               181           182           183           184           185 
      1  -0.116216D+01 -0.248350D+01  0.124962D+02 -0.747038D+01 -0.113983D+02
      2  -0.343561D+01  0.318420D+00 -0.386560D+01  0.297479D+01  0.483043D+01
      3   0.459778D+01  0.216508D+01 -0.863060D+01  0.449559D+01  0.656789D+01
      4  -0.411545D+01 -0.390686D+01  0.131427D+00 -0.364021D+01  0.108103D+01
      5   0.848150D+01 -0.256637D+00 -0.184289D+01  0.906977D+00  0.537190D+01
      6   0.154597D+01 -0.256266D-01 -0.130286D+01 -0.322433D+00  0.347668D+00
               186           187           188           189           190 
      1  -0.523467D+00  0.199503D+02 -0.505659D+00 -0.236624D+02 -0.554372D+02
      2   0.106635D+01 -0.858977D+01  0.118601D+01 -0.902583D+01  0.321234D+02
      3  -0.542886D+00 -0.113605D+02 -0.680348D+00  0.326882D+02  0.233138D+02
      4   0.494691D+01  0.136470D+01  0.600758D+01 -0.213572D+01 -0.173233D+02
      5  -0.618279D+00 -0.286912D+00 -0.689625D+00  0.514311D+02  0.340501D+01
      6   0.633628D+01 -0.217983D+00  0.355505D+01  0.656317D+01  0.263020D+01
               191           192           193           194           195 
      1   0.143127D+02  0.265407D+01  0.726811D+01 -0.109569D+02 -0.866895D+00
      2  -0.142706D+02 -0.109361D+01 -0.811039D+01  0.989474D+01  0.183709D+01
      3  -0.420760D-01 -0.156046D+01  0.842284D+00  0.106218D+01 -0.970195D+00
      4  -0.357788D+01  0.243799D+01  0.901615D+00 -0.722251D+00  0.228982D+01
      5   0.102623D+01 -0.162522D+01  0.147488D+00  0.282151D+01  0.815569D+00
      6   0.388538D+00 -0.344989D+01  0.613117D+00  0.155159D+01  0.199913D+01
               196           197           198           199           200 
      1   0.417158D+01 -0.245584D+01 -0.608915D+01  0.199259D+01  0.221909D+01
      2  -0.146135D+01  0.335915D+01  0.258492D+01 -0.163173D+01  0.130908D+01
      3  -0.271023D+01 -0.903312D+00  0.350423D+01 -0.360858D+00 -0.352818D+01
      4   0.171866D+01  0.417618D+01  0.157580D+01  0.616424D+01  0.953106D+01
      5   0.455875D+00  0.286807D+01 -0.283851D+01 -0.105409D+02 -0.343791D+01
      6  -0.263029D+01  0.356720D+01 -0.961554D+00 -0.430311D+01 -0.189841D+01
               201           202           203           204           205 
      1  -0.753606D+01 -0.291351D+00 -0.716054D-01  0.309443D+01 -0.108643D+02
      2   0.554049D+01  0.224451D+01  0.150765D+01 -0.320941D+01  0.777666D+01
      3   0.199557D+01 -0.195316D+01 -0.143604D+01  0.114980D+00  0.308764D+01
      4  -0.559823D+01  0.687751D+01  0.734726D+01 -0.619859D+01 -0.845170D+01
      5   0.133532D+02 -0.998235D+00 -0.657150D+01  0.432545D+01  0.156424D+02
      6   0.507915D+01 -0.172275D+01 -0.419899D+01  0.803718D+01  0.718574D+01
               206           207           208           209           210 
      1   0.572795D+01 -0.707353D+01  0.141343D+02  0.106176D+02  0.605940D+01
      2  -0.536069D+01 -0.838193D+01  0.206866D+01  0.686419D+01 -0.541216D+00
      3  -0.367266D+00  0.154555D+02 -0.162030D+02 -0.174818D+02 -0.551818D+01
      4  -0.133786D+02  0.166231D+02  0.276792D+02  0.333568D+02  0.847478D+01
      5   0.144013D+02 -0.497044D+02  0.829194D+01  0.574552D+01  0.874968D+01
      6   0.127043D+02 -0.285765D+02  0.537308D+01  0.434532D+01  0.596160D+01
               211           212           213           214           215 
      1   0.929890D+01 -0.210176D+01 -0.102851D+01  0.949437D+01 -0.223689D+01
      2   0.858930D+01  0.313857D+02  0.810047D+01 -0.593918D+00  0.120874D+02
      3  -0.178882D+02 -0.292840D+02 -0.707196D+01 -0.890046D+01 -0.985056D+01
      4   0.341028D+02  0.577307D+02  0.160236D+02  0.151836D+02  0.260542D+02
      5   0.683825D+01  0.143339D+02  0.104843D+02  0.116093D+02  0.144292D+02
      6   0.573840D+01  0.127262D+02  0.982931D+01  0.781700D+01  0.126415D+02
               216           217           218           219           220 
      1   0.150794D+01  0.268064D+02  0.136591D+01 -0.210909D+02  0.392698D+01
      2   0.257771D+01 -0.158222D+02 -0.547640D+00  0.122295D+02 -0.169182D+01
      3  -0.408566D+01 -0.109842D+02 -0.818274D+00  0.886139D+01 -0.223516D+01
      4   0.164679D+02  0.224807D+01  0.824234D+01  0.283278D+00  0.152798D+02
      5   0.964928D+01 -0.226661D+02  0.727681D+00  0.237298D+02  0.291064D+00
      6   0.841609D+01 -0.447555D+00  0.878999D-01  0.426113D+00 -0.100500D+01
               221           222           223           224           225 
      1   0.109430D+02  0.809513D+00 -0.461796D+02  0.194012D+01  0.283998D+02
      2  -0.557176D+01 -0.755611D+00  0.274448D+02 -0.154431D+01 -0.235461D+02
      3  -0.537122D+01 -0.539019D-01  0.187348D+02 -0.395813D+00 -0.485370D+01
      4  -0.168207D+01 -0.613844D+01  0.354652D+00 -0.104621D+02  0.914245D+00
      5  -0.599775D+01  0.114323D+01  0.424874D+02  0.672111D-02 -0.706801D+02
      6  -0.564166D+00  0.414968D+01  0.150171D+01  0.413371D+01 -0.199472D+01
               226           227           228           229           230 
      1   0.252664D+02 -0.217061D+02  0.106798D+02 -0.415820D+02  0.292483D+02
      2  -0.120382D+02  0.102117D+02 -0.560424D+01  0.199084D+02 -0.896670D+01
      3  -0.132282D+02  0.114944D+02 -0.507560D+01  0.216736D+02 -0.202816D+02
      4  -0.226508D+02  0.240693D+02 -0.682515D+01  0.405646D+02 -0.650981D+02
      5   0.123368D+02 -0.755199D+01  0.112576D+02 -0.132366D+02  0.231093D+02
      6  -0.246473D+01  0.192816D+01 -0.991299D+00  0.411617D+01 -0.695678D+01
               231           232           233           234           235 
      1  -0.793148D+01  0.196604D+02 -0.691229D+01  0.134281D+02  0.600001D+02
      2   0.466812D+01 -0.109454D+02  0.435828D+01 -0.938345D+01 -0.290830D+02
      3   0.326336D+01 -0.871509D+01  0.255401D+01 -0.404466D+01 -0.309170D+02
      4   0.217565D+02 -0.107754D+02  0.229156D+02 -0.150469D+02  0.338495D+02
      5  -0.180378D+02  0.206317D+02 -0.162163D+02  0.135382D+02  0.249538D+02
      6   0.565034D+01 -0.231516D+01  0.591180D+01 -0.410298D+01  0.508034D+01
               236           237           238           239           240 
      1   0.283482D+02  0.201698D+02  0.534990D+02  0.296222D+02  0.125170D+02
      2  -0.127220D+02 -0.107348D+02 -0.237413D+02 -0.883855D+01 -0.619530D+01
      3  -0.156261D+02 -0.943495D+01 -0.297577D+02 -0.207836D+02 -0.632170D+01
      4   0.267617D+02  0.113715D+02  0.447611D+02  0.424513D+02  0.214602D+02
      5   0.117091D+02  0.193965D+02  0.202825D+02  0.220631D+02  0.196608D+02
      6   0.300106D+01  0.280295D+01  0.639110D+01  0.693458D+01  0.619214D+01
               241           242           243           244           245 
      1   0.346912D+02  0.107079D+02  0.209589D+02  0.516939D+00  0.321368D+01
      2  -0.188856D+02 -0.532498D+01 -0.136741D+02 -0.407073D+01 -0.145946D+01
      3  -0.158055D+02 -0.538290D+01 -0.728485D+01  0.355379D+01 -0.175422D+01
      4   0.175805D+02  0.225062D+02  0.164473D+02  0.603135D+01  0.562628D+01
      5   0.320600D+02  0.169264D+02  0.211943D+02 -0.128896D+02 -0.168043D+01
      6   0.549062D+01  0.627169D+01  0.577682D+01 -0.381078D+01 -0.530229D+00
               246           247           248           249           250 
      1  -0.727386D+01  0.390408D+01  0.509861D+00  0.194391D+01 -0.859040D+01
      2   0.557078D+01 -0.155421D+01 -0.305161D+00 -0.543263D+00  0.866650D+01
      3   0.170307D+01 -0.234987D+01 -0.204700D+00 -0.140065D+01 -0.761039D-01
      4  -0.284006D+01  0.951728D+01  0.461929D+01 -0.743996D+01 -0.413375D+01
      5   0.124952D+02 -0.235428D+01 -0.754067D+01  0.872293D+01  0.174224D+02
      6   0.218442D+01 -0.182653D+01 -0.400449D+01  0.678423D+01  0.318954D+01
               251           252           253           254           255 
      1   0.231861D+01 -0.549990D+01 -0.830646D+02 -0.125981D+02  0.861359D+01
      2   0.375071D+00 -0.130018D+02  0.414254D+02  0.161937D+02 -0.544189D+01
      3  -0.269368D+01  0.185017D+02  0.416392D+02 -0.359558D+01 -0.317170D+01
      4  -0.100811D+02  0.898916D+01 -0.192766D+02  0.233958D+02  0.786931D+01
      5   0.755166D+01 -0.422544D+02  0.103411D+02  0.437032D+01  0.937823D+01
      6   0.610339D+01 -0.117486D+02  0.798119D+01  0.382939D+01  0.377727D+01
               256           257           258           259           260 
      1   0.891323D+01  0.361342D+02 -0.134330D+00  0.253329D+02  0.126825D+01
      2   0.346739D+01 -0.363892D+02  0.764253D+00 -0.900212D+01  0.439489D+01
      3  -0.123806D+02  0.255039D+00 -0.629923D+00 -0.163308D+02 -0.566314D+01
      4   0.330385D+02 -0.148634D+02  0.118352D+02  0.199807D+02  0.195264D+02
      5   0.101356D+02  0.148211D+02  0.121102D+02  0.149672D+02  0.110582D+02
      6   0.666065D+01  0.473499D+01  0.643474D+01  0.749265D+01  0.694773D+01
               261           262           263           264           265 
      1   0.133546D+02  0.414159D+01 -0.637786D+01 -0.127545D+01 -0.464284D+01
      2   0.596473D+01  0.304045D+01 -0.302136D+01 -0.254020D+00 -0.699840D+01
      3  -0.193194D+02 -0.718204D+01  0.939923D+01  0.152947D+01  0.116412D+02
      4   0.147336D+02 -0.128005D+02  0.188337D+02  0.364107D+01  0.235222D+02
      5  -0.272961D+02 -0.442087D+01  0.489396D+01  0.334179D+01  0.599622D+01
      6  -0.895404D+01  0.310216D+01 -0.383218D+01 -0.151193D+01 -0.498543D+01
               266           267           268           269           270 
      1  -0.100168D+02 -0.277425D+01  0.793545D+00 -0.251667D+00 -0.143928D+01
      2   0.353989D+02  0.448640D+01  0.230647D+01 -0.678534D+01  0.169129D+01
      3  -0.253822D+02 -0.171216D+01 -0.310002D+01  0.703701D+01 -0.252014D+00
      4  -0.584605D+02 -0.107700D+02 -0.438557D+01  0.101129D+02 -0.335057D+01
      5  -0.128460D+02 -0.996776D+01  0.182218D+01 -0.306466D+01 -0.252331D+01
      6   0.155087D+02  0.764070D+01 -0.100789D+01  0.334390D+01  0.164279D+01
               271           272           273           274           275 
      1   0.128087D+03  0.137359D+02 -0.437494D+01 -0.162578D+01  0.833449D+01
      2  -0.598231D+02 -0.265916D+01  0.176622D+01  0.456441D+01 -0.506452D+00
      3  -0.682638D+02 -0.110768D+02  0.260872D+01 -0.293863D+01 -0.782804D+01
      4   0.487409D+02  0.198548D+02 -0.437443D-01  0.148141D+02  0.704462D+01
      5   0.370210D+01  0.141481D+01  0.125980D+02 -0.877473D+00 -0.200045D+01
      6  -0.102561D+01  0.124585D+01  0.397970D+01  0.129757D+00 -0.430641D+00
               276           277           278           279           280 
      1   0.238693D+00 -0.156829D+02 -0.153412D+01  0.104223D+02 -0.876995D+00
      2  -0.486834D+00  0.627369D+01 -0.859700D+00 -0.717870D+01  0.463732D+01
      3   0.248141D+00  0.940918D+01  0.239382D+01 -0.324356D+01 -0.376032D+01
      4  -0.229225D+01 -0.778718D+01 -0.568156D+01  0.288501D+01  0.446906D+01
      5  -0.129967D+01  0.145111D+02  0.635447D+00 -0.495663D+00 -0.267171D+01
      6   0.756461D-02  0.419376D+01  0.840979D+00 -0.229693D+00 -0.919892D+00
               281           282           283           284           285 
      1   0.155747D+02 -0.157448D+01  0.108181D+02 -0.339534D+02  0.821443D-01
      2  -0.159166D+02  0.113644D+01 -0.509018D+01  0.548300D+02 -0.119056D+01
      3   0.341875D+00  0.438039D+00 -0.572792D+01 -0.208765D+02  0.110842D+01
      4  -0.683522D+01 -0.185948D+01  0.840368D+01  0.521458D+02 -0.697397D+00
      5   0.185066D+00 -0.278018D+01  0.120738D+01 -0.340222D+01  0.570671D+01
      6  -0.140043D+01 -0.251872D+01 -0.427418D-01  0.397791D+01  0.649244D+01
               286           287           288           289           290 
      1  -0.550115D+01  0.197461D+01 -0.659096D+01  0.652770D+01  0.123511D+01
      2   0.209115D+01 -0.567209D+01  0.541424D+01 -0.640223D+01 -0.225629D+01
      3   0.341000D+01  0.369748D+01  0.117673D+01 -0.125472D+00  0.102119D+01
      4  -0.431422D+01 -0.858138D+01  0.425614D+01  0.299368D+00 -0.303835D+01
      5  -0.415834D+00  0.574800D+01  0.251252D+00  0.477337D+01 -0.850682D+00
      6  -0.812445D+00  0.706005D+01 -0.533336D+00  0.832831D+00 -0.132842D+01
               291           292           293           294           295 
      1   0.656342D+01 -0.512718D+01 -0.645544D+01 -0.739677D+00  0.104796D+02
      2  -0.278678D+01  0.164289D+01  0.319164D+01  0.311446D+01 -0.650504D+01
      3  -0.377665D+01  0.348429D+01  0.326380D+01 -0.237478D+01 -0.397452D+01
      4   0.851767D+00 -0.374007D+01 -0.326758D+01  0.312856D+01  0.587743D+01
      5   0.127249D+01 -0.207919D+01  0.289865D+01 -0.473291D+01  0.104538D+02
      6  -0.932739D+00 -0.706901D+00  0.330960D+00  0.182977D+01  0.233920D+01
               296           297 
      1  -0.126070D+01 -0.119762D+02
      2   0.326560D+01 -0.133796D+02
      3  -0.200489D+01  0.253558D+02
      4   0.931836D+01  0.809121D+00
      5   0.196186D+01  0.452045D+02
      6   0.498477D+01  0.180860D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 10:54:18 2021, MaxMem=  6442450944 cpu:           32601.3 elap:            4085.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51652 -19.46393 -10.58613 -10.46596 -10.45787
 Alpha  occ. eigenvalues --  -10.45107 -10.44664 -10.44444 -10.44397 -10.44324
 Alpha  occ. eigenvalues --  -10.44275 -10.43771 -10.43592 -10.42632 -10.42213
 Alpha  occ. eigenvalues --   -1.24755  -1.14610  -1.00949  -0.96165  -0.93509
 Alpha  occ. eigenvalues --   -0.88093  -0.87738  -0.81531  -0.81280  -0.79977
 Alpha  occ. eigenvalues --   -0.74103  -0.72712  -0.69689  -0.68292  -0.64036
 Alpha  occ. eigenvalues --   -0.62798  -0.61318  -0.59688  -0.58252  -0.56882
 Alpha  occ. eigenvalues --   -0.56213  -0.55717  -0.54724  -0.53707  -0.53360
 Alpha  occ. eigenvalues --   -0.52064  -0.50346  -0.49480  -0.49209  -0.48065
 Alpha  occ. eigenvalues --   -0.47688  -0.47079  -0.45213  -0.44894  -0.44355
 Alpha  occ. eigenvalues --   -0.43556  -0.42762  -0.42551  -0.40136  -0.35473
 Alpha  occ. eigenvalues --   -0.33624
 Alpha virt. eigenvalues --    0.03484   0.04983   0.05433   0.05612   0.06064
 Alpha virt. eigenvalues --    0.06357   0.07144   0.07873   0.08290   0.09215
 Alpha virt. eigenvalues --    0.09804   0.10278   0.10650   0.11637   0.12284
 Alpha virt. eigenvalues --    0.12939   0.13151   0.13315   0.14770   0.15104
 Alpha virt. eigenvalues --    0.15781   0.16444   0.17271   0.17889   0.18349
 Alpha virt. eigenvalues --    0.18777   0.19421   0.19730   0.19902   0.20387
 Alpha virt. eigenvalues --    0.20641   0.21275   0.21832   0.22257   0.22916
 Alpha virt. eigenvalues --    0.23474   0.23667   0.24299   0.25231   0.25663
 Alpha virt. eigenvalues --    0.25817   0.26922   0.27192   0.27882   0.28461
 Alpha virt. eigenvalues --    0.28905   0.29524   0.29629   0.29822   0.30627
 Alpha virt. eigenvalues --    0.31114   0.31315   0.31927   0.32334   0.32621
 Alpha virt. eigenvalues --    0.33559   0.33951   0.34373   0.34739   0.35141
 Alpha virt. eigenvalues --    0.35327   0.35506   0.35887   0.36289   0.36757
 Alpha virt. eigenvalues --    0.37016   0.37189   0.37516   0.37692   0.37907
 Alpha virt. eigenvalues --    0.38542   0.38754   0.39118   0.39533   0.39682
 Alpha virt. eigenvalues --    0.40243   0.40682   0.40987   0.41149   0.41511
 Alpha virt. eigenvalues --    0.41570   0.41944   0.42245   0.42818   0.43018
 Alpha virt. eigenvalues --    0.43276   0.43320   0.43831   0.43956   0.44458
 Alpha virt. eigenvalues --    0.44682   0.44737   0.45950   0.46402   0.46810
 Alpha virt. eigenvalues --    0.46998   0.47440   0.47612   0.48288   0.48404
 Alpha virt. eigenvalues --    0.48608   0.49210   0.49515   0.50123   0.50362
 Alpha virt. eigenvalues --    0.50691   0.51188   0.51305   0.51729   0.51949
 Alpha virt. eigenvalues --    0.52294   0.52898   0.53077   0.53710   0.53933
 Alpha virt. eigenvalues --    0.54466   0.54757   0.54950   0.55729   0.56040
 Alpha virt. eigenvalues --    0.56381   0.56495   0.56674   0.57610   0.58124
 Alpha virt. eigenvalues --    0.58479   0.59006   0.59295   0.59960   0.60786
 Alpha virt. eigenvalues --    0.61133   0.61349   0.61803   0.62317   0.62964
 Alpha virt. eigenvalues --    0.63115   0.63428   0.64082   0.64373   0.64669
 Alpha virt. eigenvalues --    0.65963   0.66124   0.66346   0.67147   0.67387
 Alpha virt. eigenvalues --    0.67954   0.68132   0.68408   0.69078   0.69817
 Alpha virt. eigenvalues --    0.70414   0.70713   0.71787   0.72068   0.72626
 Alpha virt. eigenvalues --    0.72926   0.73860   0.74311   0.74510   0.75354
 Alpha virt. eigenvalues --    0.75819   0.76872   0.77226   0.77736   0.78002
 Alpha virt. eigenvalues --    0.78408   0.79903   0.80546   0.81149   0.81442
 Alpha virt. eigenvalues --    0.82214   0.82984   0.83360   0.83843   0.85461
 Alpha virt. eigenvalues --    0.85968   0.86113   0.86895   0.87871   0.89020
 Alpha virt. eigenvalues --    0.89767   0.90550   0.91539   0.92953   0.93788
 Alpha virt. eigenvalues --    0.94634   0.96136   0.98996   0.99301   0.99835
 Alpha virt. eigenvalues --    1.00465   1.01367   1.03001   1.04050   1.05354
 Alpha virt. eigenvalues --    1.06190   1.06240   1.07060   1.07219   1.08158
 Alpha virt. eigenvalues --    1.09062   1.09484   1.09847   1.10726   1.10923
 Alpha virt. eigenvalues --    1.11456   1.12034   1.13045   1.13367   1.13886
 Alpha virt. eigenvalues --    1.14717   1.15918   1.16182   1.17236   1.18962
 Alpha virt. eigenvalues --    1.20488   1.21437   1.22235   1.23648   1.23943
 Alpha virt. eigenvalues --    1.25230   1.25523   1.25757   1.27495   1.28275
 Alpha virt. eigenvalues --    1.29751   1.30034   1.31878   1.32462   1.32727
 Alpha virt. eigenvalues --    1.33544   1.34708   1.35322   1.36609   1.37824
 Alpha virt. eigenvalues --    1.38897   1.39822   1.41876   1.42504   1.42862
 Alpha virt. eigenvalues --    1.43548   1.45847   1.46138   1.46368   1.49138
 Alpha virt. eigenvalues --    1.50036   1.50216   1.51920   1.52651   1.54282
 Alpha virt. eigenvalues --    1.56311   1.58093   1.59755   1.61687   1.62510
 Alpha virt. eigenvalues --    1.63898   1.65335   1.67682   1.69124   1.70822
 Alpha virt. eigenvalues --    1.72898   1.73684   1.74033   1.76497   1.77174
 Alpha virt. eigenvalues --    1.78563   1.79370   1.80871   1.81359   1.82945
 Alpha virt. eigenvalues --    1.84394   1.85084   1.85537   1.85848   1.88344
 Alpha virt. eigenvalues --    1.88518   1.89184   1.90820   1.92193   1.93247
 Alpha virt. eigenvalues --    1.93676   1.94675   1.95275   1.97103   1.97641
 Alpha virt. eigenvalues --    1.98938   1.99328   1.99570   2.00605   2.01075
 Alpha virt. eigenvalues --    2.02418   2.02937   2.03477   2.04926   2.06038
 Alpha virt. eigenvalues --    2.07038   2.09322   2.10082   2.10561   2.10770
 Alpha virt. eigenvalues --    2.11307   2.13228   2.13984   2.14778   2.15930
 Alpha virt. eigenvalues --    2.17119   2.17345   2.18014   2.19000   2.19230
 Alpha virt. eigenvalues --    2.20112   2.21501   2.22711   2.24212   2.24444
 Alpha virt. eigenvalues --    2.26305   2.26856   2.27692   2.28798   2.28999
 Alpha virt. eigenvalues --    2.30336   2.30602   2.32270   2.33632   2.34596
 Alpha virt. eigenvalues --    2.35779   2.37522   2.38664   2.39798   2.41712
 Alpha virt. eigenvalues --    2.44372   2.45936   2.47445   2.49117   2.50289
 Alpha virt. eigenvalues --    2.51044   2.51638   2.52506   2.55075   2.55890
 Alpha virt. eigenvalues --    2.57355   2.58448   2.61436   2.63109   2.64085
 Alpha virt. eigenvalues --    2.65413   2.67380   2.68353   2.69408   2.71241
 Alpha virt. eigenvalues --    2.72868   2.74303   2.74736   2.76446   2.76765
 Alpha virt. eigenvalues --    2.78253   2.78746   2.79822   2.81074   2.87910
 Alpha virt. eigenvalues --    2.92674   2.94783   2.95254   2.98510   3.01159
 Alpha virt. eigenvalues --    3.02081   3.02907   3.05030   3.08490   3.08809
 Alpha virt. eigenvalues --    3.10574   3.11054   3.12772   3.13874   3.14693
 Alpha virt. eigenvalues --    3.15208   3.18386   3.21902   3.22794   3.24467
 Alpha virt. eigenvalues --    3.25043   3.26143   3.28006   3.29899   3.31554
 Alpha virt. eigenvalues --    3.32694   3.35308   3.36407   3.43061   3.46455
 Alpha virt. eigenvalues --    3.69684   3.74127   3.88551   4.00753
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.061218  -1.229920  -1.746491   0.583968  -0.020184  -0.005233
     2  C   -1.229920  14.124529   0.547846  -0.902344   0.828880  -2.159424
     3  C   -1.746491   0.547846  10.186552  -1.642329  -0.056028   0.029467
     4  C    0.583968  -0.902344  -1.642329  13.724230  -1.840679   1.011037
     5  C   -0.020184   0.828880  -0.056028  -1.840679  11.080974  -2.171761
     6  C   -0.005233  -2.159424   0.029467   1.011037  -2.171761  10.846360
     7  C   -0.965770   0.068886  -0.028879   0.169454   0.055258  -1.019338
     8  C    0.010141   0.027818  -0.001070   0.005119   0.002446  -0.032430
     9  C    0.024393  -0.052378  -0.003709  -0.005462   0.003204  -0.010476
    10  C   -0.011307  -0.022574   0.000047  -0.000131  -0.000890  -0.002462
    11  C    0.004141   0.140968  -0.866872   0.328088  -1.139070   0.064304
    12  C    0.010262   0.009015  -0.278202   0.156049  -0.168186   0.006744
    13  O    0.000597   0.000793   0.030244  -0.045404   0.031792   0.001284
    14  O   -0.004958   0.000608   0.010624  -0.016287   0.019071  -0.002814
    15  H   -0.074314  -1.876843  -0.638457   0.064410   0.225033   0.119430
    16  H   -0.452088  -0.031602   0.339939  -1.911434   0.052726   0.192500
    17  H    0.256184   0.043917   0.099298  -2.082747   0.509459  -0.771262
    18  H    0.039223  -1.862848   0.226149   0.087857  -0.829324   0.402908
    19  H   -0.099888  -0.196789   0.030554   0.005132   0.012262   0.109426
    20  H    0.141320  -0.065717  -0.002126  -0.010393  -0.013730   0.023191
    21  H   -0.046013   0.010812   0.000202   0.000552   0.011519  -0.133368
    22  H    0.010989  -0.004101  -0.006844  -0.004777   0.004185   0.036875
    23  H    0.000892  -0.028072   0.001344  -0.000250  -0.000366  -0.001787
    24  H   -0.012786   0.013369   0.002046   0.000551   0.000183  -0.010935
    25  H    0.002901   0.001202  -0.000175  -0.000022   0.000062  -0.001618
    26  H   -0.003545  -0.001036   0.000123  -0.000010  -0.000037  -0.000924
    27  H    0.001557   0.008217  -0.000032  -0.000016  -0.000043   0.001674
    28  H    0.019336  -0.000246   0.130103  -0.279871  -0.158898   0.018976
    29  C   -0.009033   0.006902  -0.070700  -0.023288  -0.005476   0.005085
    30  H    0.000074  -0.000505  -0.001538  -0.002512   0.000175  -0.000162
    31  H   -0.000402  -0.000147  -0.006568  -0.002354  -0.015268   0.000098
    32  H   -0.001564   0.002051   0.005900  -0.088131   0.054407  -0.004605
    33  H    0.002602   0.001620  -0.011155  -0.035838  -0.006578  -0.000366
               7          8          9         10         11         12
     1  C   -0.965770   0.010141   0.024393  -0.011307   0.004141   0.010262
     2  C    0.068886   0.027818  -0.052378  -0.022574   0.140968   0.009015
     3  C   -0.028879  -0.001070  -0.003709   0.000047  -0.866872  -0.278202
     4  C    0.169454   0.005119  -0.005462  -0.000131   0.328088   0.156049
     5  C    0.055258   0.002446   0.003204  -0.000890  -1.139070  -0.168186
     6  C   -1.019338  -0.032430  -0.010476  -0.002462   0.064304   0.006744
     7  C    7.260128   0.161807  -0.063296  -0.006120  -0.001191  -0.000335
     8  C    0.161807   5.861966   0.443370   0.357796  -0.001116  -0.000143
     9  C   -0.063296   0.443370   4.189180  -0.046424   0.000146   0.000004
    10  C   -0.006120   0.357796  -0.046424   4.402280   0.000014   0.000000
    11  C   -0.001191  -0.001116   0.000146   0.000014   7.586768   0.342817
    12  C   -0.000335  -0.000143   0.000004   0.000000   0.342817   5.207511
    13  O    0.000032   0.000056  -0.000015  -0.000000  -0.179229   0.531873
    14  O    0.000037   0.000060  -0.000126  -0.000001  -0.114614   0.188420
    15  H   -0.349304  -0.006498   0.026241  -0.003750  -0.004239   0.011914
    16  H    0.003363   0.000323  -0.001073   0.000042  -0.338342  -0.085087
    17  H    0.010180   0.003674  -0.000434  -0.000107  -0.505342  -0.101676
    18  H   -0.457472  -0.005003  -0.000046   0.006028   0.020716   0.004280
    19  H    0.037392   0.056295  -0.023305   0.001842   0.000092  -0.000007
    20  H   -0.055538   0.012243   0.019707  -0.097227  -0.000123  -0.000010
    21  H    0.099969   0.101723   0.023677  -0.069224  -0.000023  -0.000051
    22  H   -0.174126   0.132191   0.221259   0.008806  -0.000240   0.000150
    23  H   -0.042129   0.107779   0.203279  -0.016985   0.000039   0.000004
    24  H    0.068404   0.091554   0.183116  -0.011432   0.000025  -0.000020
    25  H   -0.005991   0.156295  -0.017255   0.106175  -0.000000   0.000000
    26  H   -0.018401  -0.052808   0.010554   0.428319   0.000002  -0.000000
    27  H    0.008653   0.132011  -0.024412   0.188900  -0.000001   0.000000
    28  H    0.000155  -0.000081   0.000004   0.000000   0.121913  -0.215234
    29  C   -0.000146   0.000041  -0.000011  -0.000000   0.390973   0.013665
    30  H   -0.000003  -0.000002   0.000008   0.000000   0.007018   0.122549
    31  H   -0.000003  -0.000001   0.000000   0.000000   0.149069   0.000965
    32  H    0.000003   0.000010  -0.000000  -0.000000   0.094864   0.004177
    33  H    0.000022  -0.000008   0.000000   0.000000   0.083064  -0.015391
              13         14         15         16         17         18
     1  C    0.000597  -0.004958  -0.074314  -0.452088   0.256184   0.039223
     2  C    0.000793   0.000608  -1.876843  -0.031602   0.043917  -1.862848
     3  C    0.030244   0.010624  -0.638457   0.339939   0.099298   0.226149
     4  C   -0.045404  -0.016287   0.064410  -1.911434  -2.082747   0.087857
     5  C    0.031792   0.019071   0.225033   0.052726   0.509459  -0.829324
     6  C    0.001284  -0.002814   0.119430   0.192500  -0.771262   0.402908
     7  C    0.000032   0.000037  -0.349304   0.003363   0.010180  -0.457472
     8  C    0.000056   0.000060  -0.006498   0.000323   0.003674  -0.005003
     9  C   -0.000015  -0.000126   0.026241  -0.001073  -0.000434  -0.000046
    10  C   -0.000000  -0.000001  -0.003750   0.000042  -0.000107   0.006028
    11  C   -0.179229  -0.114614  -0.004239  -0.338342  -0.505342   0.020716
    12  C    0.531873   0.188420   0.011914  -0.085087  -0.101676   0.004280
    13  O    7.882137   0.002232  -0.001952   0.014933   0.012416  -0.000435
    14  O    0.002232   8.054686  -0.001132   0.000226   0.005938  -0.000824
    15  H   -0.001952  -0.001132   3.968022  -0.955419  -0.031148   0.082604
    16  H    0.014933   0.000226  -0.955419   3.607155   0.081599  -0.026732
    17  H    0.012416   0.005938  -0.031148   0.081599   3.880502  -1.021821
    18  H   -0.000435  -0.000824   0.082604  -0.026732  -1.021821   4.005445
    19  H    0.000000  -0.000001  -0.049568   0.001596  -0.000564   0.038443
    20  H    0.000004   0.000018   0.028586  -0.000875  -0.002807   0.015829
    21  H    0.000004   0.000015  -0.013263   0.000597   0.002089  -0.093555
    22  H    0.000007   0.000130   0.018957   0.000544  -0.000085   0.007508
    23  H   -0.000001  -0.000010  -0.007301   0.000141   0.000009  -0.000248
    24  H   -0.000000  -0.000012  -0.005749   0.000125   0.000047  -0.001222
    25  H   -0.000000   0.000000   0.000768  -0.000000   0.000001  -0.000640
    26  H   -0.000000  -0.000000  -0.000365   0.000000  -0.000001   0.001273
    27  H   -0.000000   0.000000   0.000309  -0.000002  -0.000006   0.001151
    28  H    0.009659  -0.073920  -0.000721   0.025744   0.039663  -0.003165
    29  C   -0.018742   0.020237   0.001274   0.003852  -0.043528   0.001954
    30  H   -0.054958   0.157188   0.000008   0.001509  -0.000101   0.000001
    31  H   -0.016593   0.001079  -0.000028   0.001887  -0.005846   0.000053
    32  H    0.013312   0.003510   0.000278  -0.009046   0.022249  -0.000860
    33  H    0.002445   0.000966   0.000573  -0.001669  -0.001807   0.000160
              19         20         21         22         23         24
     1  C   -0.099888   0.141320  -0.046013   0.010989   0.000892  -0.012786
     2  C   -0.196789  -0.065717   0.010812  -0.004101  -0.028072   0.013369
     3  C    0.030554  -0.002126   0.000202  -0.006844   0.001344   0.002046
     4  C    0.005132  -0.010393   0.000552  -0.004777  -0.000250   0.000551
     5  C    0.012262  -0.013730   0.011519   0.004185  -0.000366   0.000183
     6  C    0.109426   0.023191  -0.133368   0.036875  -0.001787  -0.010935
     7  C    0.037392  -0.055538   0.099969  -0.174126  -0.042129   0.068404
     8  C    0.056295   0.012243   0.101723   0.132191   0.107779   0.091554
     9  C   -0.023305   0.019707   0.023677   0.221259   0.203279   0.183116
    10  C    0.001842  -0.097227  -0.069224   0.008806  -0.016985  -0.011432
    11  C    0.000092  -0.000123  -0.000023  -0.000240   0.000039   0.000025
    12  C   -0.000007  -0.000010  -0.000051   0.000150   0.000004  -0.000020
    13  O    0.000000   0.000004   0.000004   0.000007  -0.000001  -0.000000
    14  O   -0.000001   0.000018   0.000015   0.000130  -0.000010  -0.000012
    15  H   -0.049568   0.028586  -0.013263   0.018957  -0.007301  -0.005749
    16  H    0.001596  -0.000875   0.000597   0.000544   0.000141   0.000125
    17  H   -0.000564  -0.002807   0.002089  -0.000085   0.000009   0.000047
    18  H    0.038443   0.015829  -0.093555   0.007508  -0.000248  -0.001222
    19  H    1.223531  -0.290207  -0.028606  -0.011432   0.037926  -0.002395
    20  H   -0.290207   1.194194   0.070858   0.005198  -0.009838  -0.004109
    21  H   -0.028606   0.070858   1.304798  -0.047299  -0.017056   0.047540
    22  H   -0.011432   0.005198  -0.047299   1.046708   0.010927  -0.236490
    23  H    0.037926  -0.009838  -0.017056   0.010927   0.765652  -0.091707
    24  H   -0.002395  -0.004109   0.047540  -0.236490  -0.091707   1.068274
    25  H   -0.042683   0.008018   0.003148   0.002276   0.010820  -0.025245
    26  H   -0.001037  -0.045989  -0.017620  -0.005068  -0.003101   0.015809
    27  H    0.001476   0.014844   0.014958   0.009631  -0.012801  -0.005651
    28  H    0.000015   0.000004   0.000006  -0.000011   0.000000  -0.000000
    29  C   -0.000013   0.000033  -0.000000   0.000006  -0.000002  -0.000001
    30  H   -0.000000  -0.000000  -0.000000  -0.000011   0.000000   0.000001
    31  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000   0.000000
    32  H    0.000000  -0.000001   0.000000   0.000001  -0.000000  -0.000000
    33  H   -0.000001   0.000002  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.002901  -0.003545   0.001557   0.019336  -0.009033   0.000074
     2  C    0.001202  -0.001036   0.008217  -0.000246   0.006902  -0.000505
     3  C   -0.000175   0.000123  -0.000032   0.130103  -0.070700  -0.001538
     4  C   -0.000022  -0.000010  -0.000016  -0.279871  -0.023288  -0.002512
     5  C    0.000062  -0.000037  -0.000043  -0.158898  -0.005476   0.000175
     6  C   -0.001618  -0.000924   0.001674   0.018976   0.005085  -0.000162
     7  C   -0.005991  -0.018401   0.008653   0.000155  -0.000146  -0.000003
     8  C    0.156295  -0.052808   0.132011  -0.000081   0.000041  -0.000002
     9  C   -0.017255   0.010554  -0.024412   0.000004  -0.000011   0.000008
    10  C    0.106175   0.428319   0.188900   0.000000  -0.000000   0.000000
    11  C   -0.000000   0.000002  -0.000001   0.121913   0.390973   0.007018
    12  C    0.000000  -0.000000   0.000000  -0.215234   0.013665   0.122549
    13  O   -0.000000  -0.000000  -0.000000   0.009659  -0.018742  -0.054958
    14  O    0.000000  -0.000000   0.000000  -0.073920   0.020237   0.157188
    15  H    0.000768  -0.000365   0.000309  -0.000721   0.001274   0.000008
    16  H   -0.000000   0.000000  -0.000002   0.025744   0.003852   0.001509
    17  H    0.000001  -0.000001  -0.000006   0.039663  -0.043528  -0.000101
    18  H   -0.000640   0.001273   0.001151  -0.003165   0.001954   0.000001
    19  H   -0.042683  -0.001037   0.001476   0.000015  -0.000013  -0.000000
    20  H    0.008018  -0.045989   0.014844   0.000004   0.000033  -0.000000
    21  H    0.003148  -0.017620   0.014958   0.000006  -0.000000  -0.000000
    22  H    0.002276  -0.005068   0.009631  -0.000011   0.000006  -0.000011
    23  H    0.010820  -0.003101  -0.012801   0.000000  -0.000002   0.000000
    24  H   -0.025245   0.015809  -0.005651  -0.000000  -0.000001   0.000001
    25  H    0.827132  -0.112994  -0.009205  -0.000000   0.000000   0.000000
    26  H   -0.112994   0.870277  -0.100288  -0.000000  -0.000000   0.000000
    27  H   -0.009205  -0.100288   0.825177   0.000000   0.000000  -0.000000
    28  H   -0.000000  -0.000000   0.000000   1.463077  -0.229866  -0.008310
    29  C    0.000000  -0.000000   0.000000  -0.229866   4.330070   0.003193
    30  H    0.000000   0.000000  -0.000000  -0.008310   0.003193   0.544614
    31  H    0.000000   0.000000  -0.000000  -0.019031   0.240583   0.000559
    32  H   -0.000000  -0.000000   0.000000   0.022385   0.181612  -0.000435
    33  H    0.000000  -0.000000   0.000000  -0.005122   0.300245  -0.000123
              31         32         33
     1  C   -0.000402  -0.001564   0.002602
     2  C   -0.000147   0.002051   0.001620
     3  C   -0.006568   0.005900  -0.011155
     4  C   -0.002354  -0.088131  -0.035838
     5  C   -0.015268   0.054407  -0.006578
     6  C    0.000098  -0.004605  -0.000366
     7  C   -0.000003   0.000003   0.000022
     8  C   -0.000001   0.000010  -0.000008
     9  C    0.000000  -0.000000   0.000000
    10  C    0.000000  -0.000000   0.000000
    11  C    0.149069   0.094864   0.083064
    12  C    0.000965   0.004177  -0.015391
    13  O   -0.016593   0.013312   0.002445
    14  O    0.001079   0.003510   0.000966
    15  H   -0.000028   0.000278   0.000573
    16  H    0.001887  -0.009046  -0.001669
    17  H   -0.005846   0.022249  -0.001807
    18  H    0.000053  -0.000860   0.000160
    19  H    0.000000   0.000000  -0.000001
    20  H   -0.000000  -0.000001   0.000002
    21  H   -0.000000   0.000000  -0.000000
    22  H    0.000000   0.000001   0.000000
    23  H   -0.000000  -0.000000  -0.000000
    24  H    0.000000  -0.000000  -0.000000
    25  H    0.000000  -0.000000   0.000000
    26  H    0.000000  -0.000000  -0.000000
    27  H   -0.000000   0.000000   0.000000
    28  H   -0.019031   0.022385  -0.005122
    29  C    0.240583   0.181612   0.300245
    30  H    0.000559  -0.000435  -0.000123
    31  H    0.666652  -0.092768  -0.010952
    32  H   -0.092768   0.794929  -0.019138
    33  H   -0.010952  -0.019138   0.683470
 Mulliken charges:
               1
     1  C   -0.486302
     2  C   -1.402889
     3  C   -0.279264
     4  C   -1.242171
     5  C   -0.465121
     6  C   -0.540394
     7  C    1.244298
     8  C   -1.565560
     9  C    0.900279
    10  C    0.788384
    11  C   -0.184622
    12  C    0.253940
    13  O   -0.216492
    14  O   -0.250345
    15  H    0.471642
    16  H    0.484567
    17  H    0.602057
    18  H    0.362612
    19  H    0.190511
    20  H    0.064639
    21  H   -0.226389
    22  H   -0.025867
    23  H    0.092840
    24  H   -0.083288
    25  H    0.097028
    26  H    0.036866
    27  H   -0.056102
    28  H    0.143436
    29  C    0.901083
    30  H    0.231764
    31  H    0.109020
    32  H    0.016862
    33  H    0.032979
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.014659
     2  C   -1.402889
     3  C    0.205303
     4  C   -1.242171
     5  C    0.136936
     6  C   -0.177782
     7  C    1.499448
     8  C   -1.791950
     9  C    0.883964
    10  C    0.866176
    11  C   -0.041186
    12  C    0.253940
    13  O   -0.216492
    14  O   -0.018581
    29  C    1.059944
 Electronic spatial extent (au):  <R**2>=           4604.6219
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1512    Y=             -0.5134    Z=              1.3962  Tot=              1.8810
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.9081   YY=            -89.4423   ZZ=            -91.2634
   XY=              1.5718   XZ=             -5.9646   YZ=              0.6332
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3702   YY=              1.0956   ZZ=             -0.7254
   XY=              1.5718   XZ=             -5.9646   YZ=              0.6332
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -9.3768  YYY=             33.1463  ZZZ=             -0.5937  XYY=            -22.8173
  XXY=             -5.6333  XXZ=             29.2650  XZZ=              4.1182  YZZ=             -2.7755
  YYZ=             14.3591  XYZ=            -11.9760
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5053.4811 YYYY=           -695.9127 ZZZZ=           -469.6024 XXXY=              0.2887
 XXXZ=           -105.0088 YYYX=           -102.3260 YYYZ=             31.3947 ZZZX=             -7.8922
 ZZZY=            -10.5865 XXYY=           -894.3988 XXZZ=           -935.8386 YYZZ=           -207.1810
 XXYZ=             52.1740 YYXZ=            -28.1783 ZZXY=              3.4698
 N-N= 9.730890188818D+02 E-N=-3.467757925836D+03  KE= 6.480783659050D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 10:54:19 2021, MaxMem=  6442450944 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0311   -1.0378       -0.6465   -0.6443
 2      1.0311    1.0378        3.8550    3.8537      -40.3173  -40.3088
 3      0.6465    0.6443       34.5844   34.5794       -3.8547   -3.8537
 4     -3.8550   -3.8537       -0.0000    0.0000        0.6465    0.6443
 5      5.7329    5.7294       -0.6465   -0.6443       -1.0347   -1.0378
 6      3.8547    3.8537        1.0347    1.0378        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.1135    3.1135       -1.9329   -1.9329
 2    -11.5611  -11.5611       -0.0000    0.0000       -1.9329   -1.9329
 3    -11.5611  -11.5611        3.1135    3.1135        0.0000    0.0000
 4      3.1135    3.1135       11.5611   11.5611     -120.9263 -120.9263
 5      1.9329    1.9329      103.7381  103.7381      -11.5611  -11.5611
 6     17.1882   17.1882       -1.9329   -1.9329       -3.1135   -3.1135
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2511    0.0000        5.2890    4.1513        3.7612    2.5772
 2     -4.4069   -4.1513      -15.3830  -15.4148      160.7827  161.2350
 3     -3.0621   -2.5772     -138.0326 -138.3175       15.5456   15.4148
 4     15.1086   15.4148        0.2428    0.0000       -2.1059   -2.5772
 5    -23.1422  -22.9176        2.4827    2.5772        4.0290    4.1513
 6    -15.2079  -15.4148       -4.0263   -4.1513        0.2168    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2219    0.0000      -75.1157  -75.3286        8.7901    7.8743
 2     75.6569   75.3286       -7.2120   -7.1778       -3.3433   -4.3853
 3     -6.2360   -7.8743       37.8261   38.0523        6.0172    7.1778
 4      5.7145    7.1778       -1.1028    0.0000       -8.4334   -7.8743
 5    -33.4732  -33.6670        7.2462    7.8743      -77.1074  -75.3286
 6     -5.9827   -7.1778       76.0595   75.3286       -0.3799    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -14.8976  -14.8558        6.1133    6.0549      -45.9008  -46.3091
 2      2.1811    4.3577      -55.4905  -53.9467      -45.6489  -46.3091
 3      2.4442    4.3577        4.6575    6.0549      -62.3490  -62.9496
 4     60.0233   60.0016      -19.0891  -19.2136       17.6130   16.3085
 5    -15.7889  -16.6404       49.9477   49.5096       18.5919   19.2136
 6    -65.6592  -65.8181       15.3442   16.6404      -63.0442  -60.0016
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3194                 0.8267                 1.3997
  Dep-P Fr= 1--      0.7490                 0.7139                 0.7275
  Dep-U Fr= 1--      0.8565                 0.8331                 0.8423
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0005
 Beta2  Fr= 1--      0.0456                 0.1148                 0.1965
 AlphaG Fr= 1--      0.0001                 0.0026                -0.0038
 Gamma2 Fr= 1--      0.1512                 0.1560                -0.8330
 Delta2 Fr= 1--      0.0940                 0.4667                -0.9471
 Raman1 Fr= 1--       1.278                  3.307                  5.599
 ROA1   Fr= 1--      17.518                 29.911               -110.279
 CID1   Fr= 1--      13.710                  9.046                -19.697
 Raman2 Fr= 1--       0.547                  1.377                  2.358
 ROA2   Fr= 1--       2.876                  0.011                -12.416
 CID2   Fr= 1--       5.256                  0.008                 -5.266
 Raman3 Fr= 1--       1.094                  2.755                  4.716
 ROA3   Fr= 1--      17.518                 29.911               -110.279
 CID3   Fr= 1--      16.007                 10.858                -23.385
 RC180  Fr= 1--       0.713                  0.666                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.2794                 0.1679                 2.3094
  Dep-P Fr= 1--      0.7488                 0.7197                 0.7362
  Dep-U Fr= 1--      0.8564                 0.8370                 0.8481
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0005
 Beta2  Fr= 1--      0.6108                 0.0234                 0.3264
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0011
 Gamma2 Fr= 1--      0.3462                 0.5156                -0.4453
 Delta2 Fr= 1--      0.2367                 0.2474                -0.1112
 Raman1 Fr= 1--      17.118                  0.672                  9.238
 ROA1   Fr= 1--      40.814                 57.417                -46.303
 CID1   Fr= 1--       2.384                 85.481                 -5.012
 Raman2 Fr= 1--       7.330                  0.281                  3.917
 ROA2   Fr= 1--       6.416                 10.396                 -9.797
 CID2   Fr= 1--       0.875                 36.982                 -2.501
 Raman3 Fr= 1--      14.659                  0.562                  7.834
 ROA3   Fr= 1--      40.814                 57.417                -46.303
 CID3   Fr= 1--       2.784                102.128                 -5.910
 RC180  Fr= 1--       0.713                  0.674                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.4298                 0.3441                 0.0799
  Dep-P Fr= 1--      0.2175                 0.4717                 0.7500
  Dep-U Fr= 1--      0.3573                 0.6410                 0.8571
 Alpha2 Fr= 1--      0.0185                 0.0019                 0.0000
 Beta2  Fr= 1--      0.0851                 0.0368                 0.0114
 AlphaG Fr= 1--      0.0046                -0.0021                -0.0000
 Gamma2 Fr= 1--     -0.0270                 0.4511                 0.0925
 Delta2 Fr= 1--     -0.0427                 0.2879                 0.0411
 Raman1 Fr= 1--       5.719                  1.377                  0.320
 ROA1   Fr= 1--      -3.960                 52.513                 10.195
 CID1   Fr= 1--      -0.692                 38.150                 31.888
 Raman2 Fr= 1--       1.022                  0.441                  0.137
 ROA2   Fr= 1--      -0.308                  8.522                  1.892
 CID2   Fr= 1--      -0.301                 19.316                 13.808
 Raman3 Fr= 1--       2.043                  0.882                  0.274
 ROA3   Fr= 1--      -3.960                 52.513                 10.195
 CID3   Fr= 1--      -1.938                 59.513                 37.203
 RC180  Fr= 1--      -0.285                  0.282                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0638                 1.3258                 0.4320
  Dep-P Fr= 1--      0.7293                 0.4237                 0.6950
  Dep-U Fr= 1--      0.8434                 0.5952                 0.8201
 Alpha2 Fr= 1--      0.0000                 0.0090                 0.0004
 Beta2  Fr= 1--      0.0090                 0.1315                 0.0590
 AlphaG Fr= 1--      0.0001                -0.0260                -0.0018
 Gamma2 Fr= 1--     -0.0714                -0.7246                 0.4991
 Delta2 Fr= 1--      0.0123                 0.0673                 0.1766
 Raman1 Fr= 1--       0.255                  5.303                  1.728
 ROA1   Fr= 1--      -6.465                -67.413                 53.568
 CID1   Fr= 1--     -25.345                -12.711                 31.000
 Raman2 Fr= 1--       0.108                  1.578                  0.709
 ROA2   Fr= 1--      -1.812                -17.930                 10.567
 CID2   Fr= 1--     -16.849                -11.361                 14.913
 Raman3 Fr= 1--       0.215                  3.157                  1.417
 ROA3   Fr= 1--      -6.465                -67.413                 53.568
 CID3   Fr= 1--     -30.050                -21.357                 37.801
 RC180  Fr= 1--       0.687                  0.190                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.5503                 0.3256                 2.0072
  Dep-P Fr= 1--      0.0787                 0.6698                 0.6893
  Dep-U Fr= 1--      0.1458                 0.8023                 0.8161
 Alpha2 Fr= 1--      0.0286                 0.0005                 0.0021
 Beta2  Fr= 1--      0.0377                 0.0435                 0.2730
 AlphaG Fr= 1--      0.0195                -0.0003                -0.0009
 Gamma2 Fr= 1--     -0.1375                 0.7495                 0.3691
 Delta2 Fr= 1--     -0.2518                 0.3948                -0.3811
 Raman1 Fr= 1--       6.201                  1.302                  8.029
 ROA1   Fr= 1--     -21.257                 84.588                 23.241
 CID1   Fr= 1--      -3.428                 64.953                  2.895
 Raman2 Fr= 1--       0.452                  0.522                  3.276
 ROA2   Fr= 1--      -1.286                 14.831                 11.908
 CID2   Fr= 1--      -2.843                 28.389                  3.635
 Raman3 Fr= 1--       0.904                  1.045                  6.552
 ROA3   Fr= 1--     -21.257                 84.588                 23.241
 CID3   Fr= 1--     -23.504                 80.960                  3.547
 RC180  Fr= 1--      -0.708                  0.605                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      0.9450                 4.7331                 0.1501
  Dep-P Fr= 1--      0.1743                 0.1169                 0.1214
  Dep-U Fr= 1--      0.2969                 0.2093                 0.2165
 Alpha2 Fr= 1--      0.0137                 0.0795                 0.0025
 Beta2  Fr= 1--      0.0468                 0.1651                 0.0054
 AlphaG Fr= 1--      0.0013                -0.0262                -0.0337
 Gamma2 Fr= 1--      0.3434                -0.2243                -0.4885
 Delta2 Fr= 1--      0.1251                 0.0420                -0.0443
 Raman1 Fr= 1--       3.780                 18.932                  0.600
 ROA1   Fr= 1--      36.967                -20.193                -48.315
 CID1   Fr= 1--       9.780                 -1.067                -80.488
 Raman2 Fr= 1--       0.561                  1.982                  0.065
 ROA2   Fr= 1--       7.240                 -5.719                -11.369
 CID2   Fr= 1--      12.904                 -2.886               -174.997
 Raman3 Fr= 1--       1.122                  3.963                  0.130
 ROA3   Fr= 1--      36.967                -20.193                -48.315
 CID3   Fr= 1--      32.945                 -5.095               -371.829
 RC180  Fr= 1--      -0.406                 -0.581                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8248                 1.7102                 1.0237
  Dep-P Fr= 1--      0.5690                 0.1588                 0.3121
  Dep-U Fr= 1--      0.7253                 0.2741                 0.4758
 Alpha2 Fr= 1--      0.0028                 0.0259                 0.0101
 Beta2  Fr= 1--      0.0997                 0.0781                 0.0812
 AlphaG Fr= 1--      0.0011                 0.0035                 0.0219
 Gamma2 Fr= 1--     -0.4474                 0.1632                -0.0507
 Delta2 Fr= 1--     -0.1504                 0.0656                 0.0244
 Raman1 Fr= 1--       3.299                  6.841                  4.095
 ROA1   Fr= 1--     -47.761                 17.763                 -4.090
 CID1   Fr= 1--     -14.476                  2.597                 -0.999
 Raman2 Fr= 1--       1.197                  0.937                  0.974
 ROA2   Fr= 1--      -9.534                  3.391                 -1.412
 CID2   Fr= 1--      -7.968                  3.617                 -1.450
 Raman3 Fr= 1--       2.393                  1.875                  1.948
 ROA3   Fr= 1--     -47.761                 17.763                 -4.090
 CID3   Fr= 1--     -19.958                  9.474                 -2.099
 RC180  Fr= 1--       0.451                 -0.452                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.1893                 1.1685                 2.8492
  Dep-P Fr= 1--      0.2791                 0.7231                 0.6474
  Dep-U Fr= 1--      0.4363                 0.8393                 0.7860
 Alpha2 Fr= 1--      0.0021                 0.0005                 0.0053
 Beta2  Fr= 1--      0.0138                 0.1635                 0.3732
 AlphaG Fr= 1--     -0.0102                 0.0064                -0.0133
 Gamma2 Fr= 1--     -0.0019                -1.1373                -0.2513
 Delta2 Fr= 1--     -0.1092                -0.0130                -0.0657
 Raman1 Fr= 1--       0.757                  4.674                 11.397
 ROA1   Fr= 1--      -3.678               -109.593                -26.227
 CID1   Fr= 1--      -4.857                -23.447                 -2.301
 Raman2 Fr= 1--       0.165                  1.962                  4.479
 ROA2   Fr= 1--       0.828                -27.191                 -5.505
 CID2   Fr= 1--       5.013                -13.862                 -1.229
 Raman3 Fr= 1--       0.330                  3.923                  8.957
 ROA3   Fr= 1--      -3.678               -109.593                -26.227
 CID3   Fr= 1--     -11.131                -27.935                 -2.928
 RC180  Fr= 1--      -0.127                  0.679                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.1762                 2.4152                 5.5777
  Dep-P Fr= 1--      0.5007                 0.0475                 0.0578
  Dep-U Fr= 1--      0.6672                 0.0907                 0.1093
 Alpha2 Fr= 1--      0.0255                 0.0480                 0.1081
 Beta2  Fr= 1--      0.5756                 0.0365                 0.1016
 AlphaG Fr= 1--     -0.0629                 0.0408                 0.0542
 Gamma2 Fr= 1--     -0.1500                 0.7430                -0.4074
 Delta2 Fr= 1--     -0.0725                 0.1240                 0.0717
 Raman1 Fr= 1--      20.705                  9.661                 22.311
 ROA1   Fr= 1--     -16.717                 75.297                -36.811
 CID1   Fr= 1--      -0.807                  7.794                 -1.650
 Raman2 Fr= 1--       6.908                  0.438                  1.219
 ROA2   Fr= 1--      -3.020                 16.839                -10.350
 CID2   Fr= 1--      -0.437                 38.425                 -8.490
 Raman3 Fr= 1--      13.815                  0.876                  2.438
 ROA3   Fr= 1--     -16.717                 75.297                -36.811
 CID3   Fr= 1--      -1.210                 85.909                -15.098
 RC180  Fr= 1--       0.334                 -0.819                 -0.781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     26.7571                 1.1639                 4.6927
  Dep-P Fr= 1--      0.0549                 0.2066                 0.1002
  Dep-U Fr= 1--      0.1041                 0.3424                 0.1821
 Alpha2 Fr= 1--      0.5224                 0.0155                 0.0821
 Beta2  Fr= 1--      0.4644                 0.0664                 0.1424
 AlphaG Fr= 1--      0.0600                 0.0193                -0.0376
 Gamma2 Fr= 1--     -1.9076                 1.0564                 3.8920
 Delta2 Fr= 1--     -1.3558                 0.2663                 2.7241
 Raman1 Fr= 1--     107.028                  4.656                 18.771
 ROA1   Fr= 1--    -226.510                109.939                460.803
 CID1   Fr= 1--      -2.116                 23.614                 24.549
 Raman2 Fr= 1--       5.573                  0.797                  1.709
 ROA2   Fr= 1--     -34.935                 23.225                 71.615
 CID2   Fr= 1--      -6.268                 29.137                 41.905
 Raman3 Fr= 1--      11.147                  1.594                  3.418
 ROA3   Fr= 1--    -226.510                109.939                460.803
 CID3   Fr= 1--     -20.321                 68.963                134.819
 RC180  Fr= 1--      -0.792                 -0.315                 -0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      0.9885                14.1351                 5.5909
  Dep-P Fr= 1--      0.5390                 0.1627                 0.0517
  Dep-U Fr= 1--      0.7004                 0.2798                 0.0983
 Alpha2 Fr= 1--      0.0040                 0.2116                 0.1100
 Beta2  Fr= 1--      0.1154                 0.6593                 0.0916
 AlphaG Fr= 1--     -0.0022                -0.0501                 0.0533
 Gamma2 Fr= 1--     -0.3853                -0.0445                -1.4584
 Delta2 Fr= 1--     -0.4111                -0.7185                -0.6862
 Raman1 Fr= 1--       3.954                 56.540                 22.364
 ROA1   Fr= 1--     -50.143                -27.260               -161.962
 CID1   Fr= 1--     -12.682                 -0.482                 -7.242
 Raman2 Fr= 1--       1.385                  7.911                  1.099
 ROA2   Fr= 1--      -5.959                  4.680                -29.511
 CID2   Fr= 1--      -4.303                  0.592                -26.844
 Raman3 Fr= 1--       2.769                 15.822                  2.199
 ROA3   Fr= 1--     -50.143                -27.260               -161.962
 CID3   Fr= 1--     -18.106                 -1.723                -73.663
 RC180  Fr= 1--       0.401                 -0.440                 -0.803
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.1445                 1.2846                 4.5348
  Dep-P Fr= 1--      0.7379                 0.5222                 0.7293
  Dep-U Fr= 1--      0.8492                 0.6861                 0.8435
 Alpha2 Fr= 1--      0.0004                 0.0057                 0.0016
 Beta2  Fr= 1--      0.3035                 0.1469                 0.6375
 AlphaG Fr= 1--     -0.0028                -0.0210                -0.0202
 Gamma2 Fr= 1--      0.5928                 0.3466                 0.9668
 Delta2 Fr= 1--      0.2522                 0.7430                -0.4029
 Raman1 Fr= 1--       8.578                  5.138                 18.139
 ROA1   Fr= 1--      64.983                 57.048                 79.920
 CID1   Fr= 1--       7.576                 11.102                  4.406
 Raman2 Fr= 1--       3.642                  1.763                  7.650
 ROA2   Fr= 1--      12.211                  2.374                 26.426
 CID2   Fr= 1--       3.352                  1.347                  3.454
 Raman3 Fr= 1--       7.285                  3.526                 15.300
 ROA3   Fr= 1--      64.983                 57.048                 79.920
 CID3   Fr= 1--       8.921                 16.181                  5.223
 RC180  Fr= 1--       0.698                  0.372                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.8744                 2.4943                 0.6805
  Dep-P Fr= 1--      0.7222                 0.6135                 0.7314
  Dep-U Fr= 1--      0.8387                 0.7604                 0.8449
 Alpha2 Fr= 1--      0.0014                 0.0063                 0.0002
 Beta2  Fr= 1--      0.4018                 0.3161                 0.0958
 AlphaG Fr= 1--      0.0034                -0.0160                -0.0032
 Gamma2 Fr= 1--      1.1348                 0.7066                -0.8774
 Delta2 Fr= 1--      0.2372                -0.0019                 0.6217
 Raman1 Fr= 1--      11.498                  9.977                  2.722
 ROA1   Fr= 1--     116.533                 67.769                -64.333
 CID1   Fr= 1--      10.135                  6.792                -23.634
 Raman2 Fr= 1--       4.822                  3.794                  1.150
 ROA2   Fr= 1--      25.338                 16.972                -26.030
 CID2   Fr= 1--       5.255                  4.474                -22.637
 Raman3 Fr= 1--       9.643                  7.587                  2.300
 ROA3   Fr= 1--     116.533                 67.769                -64.333
 CID3   Fr= 1--      12.084                  8.932                -27.974
 RC180  Fr= 1--       0.677                  0.521                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--      9.3480                 0.0527                 1.7274
  Dep-P Fr= 1--      0.2570                 0.6896                 0.6697
  Dep-U Fr= 1--      0.4089                 0.8163                 0.8022
 Alpha2 Fr= 1--      0.1086                 0.0001                 0.0025
 Beta2  Fr= 1--      0.6370                 0.0072                 0.2310
 AlphaG Fr= 1--      0.0246                 0.0004                 0.0067
 Gamma2 Fr= 1--     -0.2804                -0.0018                -0.3510
 Delta2 Fr= 1--     -1.3564                 0.0953                 0.8091
 Raman1 Fr= 1--      37.392                  0.211                  6.910
 ROA1   Fr= 1--     -70.324                  2.882                 -7.807
 CID1   Fr= 1--      -1.881                 13.678                 -1.130
 Raman2 Fr= 1--       7.645                  0.086                  2.771
 ROA2   Fr= 1--       4.121                 -0.805                -14.897
 CID2   Fr= 1--       0.539                 -9.356                 -5.375
 Raman3 Fr= 1--      15.289                  0.172                  5.543
 ROA3   Fr= 1--     -70.324                  2.882                 -7.807
 CID3   Fr= 1--      -4.600                 16.756                 -1.409
 RC180  Fr= 1--      -0.182                  0.633                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      2.3380                 5.5404                18.5450
  Dep-P Fr= 1--      0.5033                 0.1631                 0.3506
  Dep-U Fr= 1--      0.6696                 0.2804                 0.5192
 Alpha2 Fr= 1--      0.0114                 0.0828                 0.1625
 Beta2  Fr= 1--      0.2609                 0.2589                 1.6046
 AlphaG Fr= 1--     -0.0053                 0.0426                 0.0881
 Gamma2 Fr= 1--      1.8362                -1.3939                -1.4261
 Delta2 Fr= 1--      1.7477                -0.7026                -0.4248
 Raman1 Fr= 1--       9.352                 22.161                 74.180
 ROA1   Fr= 1--     232.207               -156.299               -150.495
 CID1   Fr= 1--      24.830                 -7.053                 -2.029
 Raman2 Fr= 1--       3.131                  3.107                 19.255
 ROA2   Fr= 1--      30.088                -27.834                -30.827
 CID2   Fr= 1--       9.609                 -8.958                 -1.601
 Raman3 Fr= 1--       6.262                  6.214                 38.511
 ROA3   Fr= 1--     232.207               -156.299               -150.495
 CID3   Fr= 1--      37.080                -25.151                 -3.908
 RC180  Fr= 1--       0.339                 -0.439                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.1667                 0.8155                 2.8370
  Dep-P Fr= 1--      0.4162                 0.7312                 0.5718
  Dep-U Fr= 1--      0.5878                 0.8447                 0.7276
 Alpha2 Fr= 1--      0.0151                 0.0003                 0.0095
 Beta2  Fr= 1--      0.2123                 0.1148                 0.3440
 AlphaG Fr= 1--     -0.0130                 0.0032                 0.0000
 Gamma2 Fr= 1--     -0.3323                -0.9786                -1.9899
 Delta2 Fr= 1--     -0.9521                -0.4329                 0.4352
 Raman1 Fr= 1--       8.667                  3.262                 11.348
 ROA1   Fr= 1--     -62.369               -107.793               -177.101
 CID1   Fr= 1--      -7.196                -33.047                -15.606
 Raman2 Fr= 1--       2.547                  1.378                  4.128
 ROA2   Fr= 1--      -0.359                -20.022                -51.239
 CID2   Fr= 1--      -0.141                -14.533                -12.412
 Raman3 Fr= 1--       5.094                  2.755                  8.256
 ROA3   Fr= 1--     -62.369               -107.793               -177.101
 CID3   Fr= 1--     -12.243                -39.120                -21.450
 RC180  Fr= 1--       0.176                  0.689                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     40.2787                31.6221                29.6025
  Dep-P Fr= 1--      0.0919                 0.1643                 0.1198
  Dep-U Fr= 1--      0.1683                 0.2822                 0.2140
 Alpha2 Fr= 1--      0.7194                 0.4714                 0.4936
 Beta2  Fr= 1--      1.1296                 1.4872                 1.0556
 AlphaG Fr= 1--     -0.1652                -0.0081                 0.0274
 Gamma2 Fr= 1--     -2.2217                 0.8968                 1.2219
 Delta2 Fr= 1--      0.1761                -0.2706                 0.0513
 Raman1 Fr= 1--     161.115                126.488                118.410
 ROA1   Fr= 1--    -207.647                 77.437                118.944
 CID1   Fr= 1--      -1.289                  0.612                  1.005
 Raman2 Fr= 1--      13.555                 17.847                 12.667
 ROA2   Fr= 1--     -54.729                 23.689                 28.916
 CID2   Fr= 1--      -4.038                  1.327                  2.283
 Raman3 Fr= 1--      27.110                 35.694                 25.335
 ROA3   Fr= 1--    -207.647                 77.437                118.944
 CID3   Fr= 1--      -7.659                  2.169                  4.695
 RC180  Fr= 1--      -0.663                 -0.436                 -0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      5.6805                 3.8009                 3.2872
  Dep-P Fr= 1--      0.5033                 0.6455                 0.6725
  Dep-U Fr= 1--      0.6696                 0.7846                 0.8042
 Alpha2 Fr= 1--      0.0276                 0.0072                 0.0045
 Beta2  Fr= 1--      0.6339                 0.4970                 0.4406
 AlphaG Fr= 1--     -0.0342                -0.0042                -0.0174
 Gamma2 Fr= 1--     -2.4565                -0.0136                -1.5693
 Delta2 Fr= 1--      0.0444                -0.7631                 1.1016
 Raman1 Fr= 1--      22.722                 15.204                 13.149
 ROA1   Fr= 1--    -234.400                -25.719               -115.402
 CID1   Fr= 1--     -10.316                 -1.692                 -8.777
 Raman2 Fr= 1--       7.607                  5.964                  5.287
 ROA2   Fr= 1--     -59.310                  5.779                -46.476
 CID2   Fr= 1--      -7.797                  0.969                 -8.791
 Raman3 Fr= 1--      15.214                 11.928                 10.574
 ROA3   Fr= 1--    -234.400                -25.719               -115.402
 CID3   Fr= 1--     -15.407                 -2.156                -10.914
 RC180  Fr= 1--       0.339                  0.569                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     21.0250                 4.3771                 2.7967
  Dep-P Fr= 1--      0.3103                 0.6797                 0.5482
  Dep-U Fr= 1--      0.4737                 0.8093                 0.7082
 Alpha2 Fr= 1--      0.2090                 0.0054                 0.0108
 Beta2  Fr= 1--      1.6598                 0.5904                 0.3301
 AlphaG Fr= 1--     -0.0741                 0.0640                 0.0085
 Gamma2 Fr= 1--     -2.6102                 6.5722                 1.0170
 Delta2 Fr= 1--     -0.0144                 3.5802                 0.6559
 Raman1 Fr= 1--      84.100                 17.508                 11.187
 ROA1   Fr= 1--    -251.041                745.500                118.617
 CID1   Fr= 1--      -2.985                 42.580                 10.603
 Raman2 Fr= 1--      19.918                  7.085                  3.961
 ROA2   Fr= 1--     -62.529                129.092                 19.160
 CID2   Fr= 1--      -3.139                 18.221                  4.837
 Raman3 Fr= 1--      39.836                 14.170                  7.922
 ROA3   Fr= 1--    -251.041                745.500                118.617
 CID3   Fr= 1--      -6.302                 52.612                 14.973
 RC180  Fr= 1--      -0.053                  0.619                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      4.6827                16.1767                 3.6716
  Dep-P Fr= 1--      0.2813                 0.5530                 0.7477
  Dep-U Fr= 1--      0.4391                 0.7122                 0.8556
 Alpha2 Fr= 1--      0.0508                 0.0608                 0.0001
 Beta2  Fr= 1--      0.3427                 1.9201                 0.5236
 AlphaG Fr= 1--      0.1308                 0.0294                -0.0033
 Gamma2 Fr= 1--      2.5317                -0.1153                 1.3799
 Delta2 Fr= 1--     -0.0979                -1.9702                -1.5337
 Raman1 Fr= 1--      18.731                 64.707                 14.687
 ROA1   Fr= 1--     239.913                -74.119                 83.391
 CID1   Fr= 1--      12.808                 -1.145                  5.678
 Raman2 Fr= 1--       4.112                 23.042                  6.283
 ROA2   Fr= 1--      61.544                 12.994                 45.387
 CID2   Fr= 1--      14.966                  0.564                  7.224
 Raman3 Fr= 1--       8.225                 46.083                 12.566
 ROA3   Fr= 1--     239.913                -74.119                 83.391
 CID3   Fr= 1--      29.170                 -1.608                  6.636
 RC180  Fr= 1--      -0.122                  0.424                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.1831                 0.9528                 0.7933
  Dep-P Fr= 1--      0.4635                 0.6457                 0.6120
  Dep-U Fr= 1--      0.6334                 0.7847                 0.7593
 Alpha2 Fr= 1--      0.0011                 0.0018                 0.0020
 Beta2  Fr= 1--      0.0193                 0.1246                 0.1004
 AlphaG Fr= 1--      0.0033                 0.0007                 0.0017
 Gamma2 Fr= 1--     -0.0240                 0.0137                 0.1087
 Delta2 Fr= 1--     -0.0220                 0.0983                -0.1132
 Raman1 Fr= 1--       0.732                  3.811                  3.173
 ROA1   Fr= 1--      -3.010                  4.461                  6.815
 CID1   Fr= 1--      -4.111                  1.170                  2.148
 Raman2 Fr= 1--       0.232                  1.495                  1.205
 ROA2   Fr= 1--      -0.401                 -0.458                  3.514
 CID2   Fr= 1--      -1.729                 -0.307                  2.917
 Raman3 Fr= 1--       0.464                  2.991                  2.409
 ROA3   Fr= 1--      -3.010                  4.461                  6.815
 CID3   Fr= 1--      -6.490                  1.492                  2.828
 RC180  Fr= 1--       0.267                  0.569                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.6640                 1.6057                13.4248
  Dep-P Fr= 1--      0.7066                 0.6779                 0.7345
  Dep-U Fr= 1--      0.8281                 0.8080                 0.8470
 Alpha2 Fr= 1--      0.0005                 0.0020                 0.0035
 Beta2  Fr= 1--      0.0916                 0.2162                 1.8950
 AlphaG Fr= 1--      0.0087                 0.0245                -0.0092
 Gamma2 Fr= 1--     -3.6521                 1.4058                 2.6539
 Delta2 Fr= 1--      1.5214                -0.1932                -0.5031
 Raman1 Fr= 1--       2.656                  6.423                 53.699
 ROA1   Fr= 1--    -301.921                128.778                238.675
 CID1   Fr= 1--    -113.672                 20.050                  4.445
 Raman2 Fr= 1--       1.100                  2.595                 22.740
 ROA2   Fr= 1--     -99.822                 35.285                 67.718
 CID2   Fr= 1--     -90.768                 13.598                  2.978
 Raman3 Fr= 1--       2.199                  5.190                 45.481
 ROA3   Fr= 1--    -301.921                128.778                238.675
 CID3   Fr= 1--    -137.269                 24.815                  5.248
 RC180  Fr= 1--       0.656                  0.616                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      6.7574                 3.3131                 6.3077
  Dep-P Fr= 1--      0.6309                 0.7497                 0.6897
  Dep-U Fr= 1--      0.7737                 0.8570                 0.8164
 Alpha2 Fr= 1--      0.0146                 0.0000                 0.0067
 Beta2  Fr= 1--      0.8713                 0.4732                 0.8582
 AlphaG Fr= 1--      0.0182                -0.0000                 0.0570
 Gamma2 Fr= 1--     -0.6529                 0.6677                -0.0628
 Delta2 Fr= 1--     -1.2946                -1.1125                 1.6785
 Raman1 Fr= 1--      27.030                 13.252                 25.231
 ROA1   Fr= 1--    -104.101                 28.500                 47.683
 CID1   Fr= 1--      -3.851                  2.151                  1.890
 Raman2 Fr= 1--      10.456                  5.678                 10.299
 ROA2   Fr= 1--      -5.312                 24.925                -14.936
 CID2   Fr= 1--      -0.508                  4.389                 -1.450
 Raman3 Fr= 1--      20.912                 11.357                 20.597
 ROA3   Fr= 1--    -104.101                 28.500                 47.683
 CID3   Fr= 1--      -4.978                  2.509                  2.315
 RC180  Fr= 1--       0.547                  0.714                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--     10.4497                 0.9714                 0.1412
  Dep-P Fr= 1--      0.7270                 0.5432                 0.5276
  Dep-U Fr= 1--      0.8420                 0.7040                 0.6907
 Alpha2 Fr= 1--      0.0041                 0.0039                 0.0006
 Beta2  Fr= 1--      1.4664                 0.1140                 0.0163
 AlphaG Fr= 1--      0.0176                -0.0012                 0.0071
 Gamma2 Fr= 1--     -0.6372                -1.5908                 0.2105
 Delta2 Fr= 1--      0.2722                -0.4081                 0.0528
 Raman1 Fr= 1--      41.799                  3.886                  0.565
 ROA1   Fr= 1--     -52.465               -165.778                 21.898
 CID1   Fr= 1--      -1.255                -42.665                 38.775
 Raman2 Fr= 1--      17.596                  1.368                  0.195
 ROA2   Fr= 1--     -17.471                -34.915                  4.630
 CID2   Fr= 1--      -0.993                -25.528                 23.736
 Raman3 Fr= 1--      35.193                  2.735                  0.390
 ROA3   Fr= 1--     -52.465               -165.778                 21.898
 CID3   Fr= 1--      -1.491                -60.603                 56.135
 RC180  Fr= 1--       0.684                  0.408                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      2.0173               116.5647                13.8705
  Dep-P Fr= 1--      0.7049                 0.4778                 0.1653
  Dep-U Fr= 1--      0.8269                 0.6466                 0.2836
 Alpha2 Fr= 1--      0.0016                 0.6363                 0.2062
 Beta2  Fr= 1--      0.2780                12.5617                 0.6557
 AlphaG Fr= 1--     -0.0298                -0.0614                -0.4434
 Gamma2 Fr= 1--      0.2024                 0.0331                -1.8265
 Delta2 Fr= 1--     -0.1249                -0.1099                 0.7633
 Raman1 Fr= 1--       8.069                466.259                 55.482
 ROA1   Fr= 1--      15.438                 -0.339               -150.916
 CID1   Fr= 1--       1.913                 -0.001                 -2.720
 Raman2 Fr= 1--       3.336                150.740                  7.869
 ROA2   Fr= 1--       5.857                  1.674                -49.941
 CID2   Fr= 1--       1.756                  0.011                 -6.347
 Raman3 Fr= 1--       6.673                301.480                 15.737
 ROA3   Fr= 1--      15.438                 -0.339               -150.916
 CID3   Fr= 1--       2.314                 -0.001                 -9.590
 RC180  Fr= 1--       0.654                  0.293                 -0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    135.9983                14.0958                28.3271
  Dep-P Fr= 1--      0.2059                 0.6237                 0.2613
  Dep-U Fr= 1--      0.3415                 0.7682                 0.4144
 Alpha2 Fr= 1--      1.8180                 0.0325                 0.3252
 Beta2  Fr= 1--      7.7409                 1.8048                 1.9563
 AlphaG Fr= 1--      1.0313                 0.0827                -0.1939
 Gamma2 Fr= 1--     10.9744                -4.0259                 0.1563
 Delta2 Fr= 1--      6.3071                -2.3989                -3.4586
 Raman1 Fr= 1--     543.993                 56.383                113.309
 ROA1   Fr= 1--    1255.371               -463.251                -95.673
 CID1   Fr= 1--       2.308                 -8.216                 -0.844
 Raman2 Fr= 1--      92.891                 21.658                 23.476
 ROA2   Fr= 1--     212.929                -77.431                 31.420
 CID2   Fr= 1--       2.292                 -3.575                  1.338
 Raman3 Fr= 1--     185.782                 43.316                 46.951
 ROA3   Fr= 1--    1255.371               -463.251                -95.673
 CID3   Fr= 1--       6.757                -10.695                 -2.038
 RC180  Fr= 1--      -0.317                  0.536                 -0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    408.5819               216.3210                29.7475
  Dep-P Fr= 1--      0.0079                 0.0599                 0.7228
  Dep-U Fr= 1--      0.0157                 0.1130                 0.8391
 Alpha2 Fr= 1--      8.9137                 4.1732                 0.0139
 Beta2  Fr= 1--      1.0667                 4.0751                 4.1601
 AlphaG Fr= 1--     -0.9655                -0.2140                -0.1428
 Gamma2 Fr= 1--     -1.5900                 0.8815                -1.0278
 Delta2 Fr= 1--     -0.0359                 3.6405                 1.8243
 Raman1 Fr= 1--    1634.327                865.284                118.990
 ROA1   Fr= 1--    -153.789                201.121                -40.290
 CID1   Fr= 1--      -0.094                  0.232                 -0.339
 Raman2 Fr= 1--      12.801                 48.901                 49.921
 ROA2   Fr= 1--     -37.872                 -7.968                -39.261
 CID2   Fr= 1--      -2.959                 -0.163                 -0.786
 Raman3 Fr= 1--      25.601                 97.802                 99.841
 ROA3   Fr= 1--    -153.789                201.121                -40.290
 CID3   Fr= 1--      -6.007                  2.056                 -0.404
 RC180  Fr= 1--      -0.969                 -0.774                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     68.0301                23.6088               113.0581
  Dep-P Fr= 1--      0.2032                 0.7380                 0.4541
  Dep-U Fr= 1--      0.3378                 0.8493                 0.6246
 Alpha2 Fr= 1--      0.9161                 0.0048                 0.6816
 Beta2  Fr= 1--      3.8297                 3.3417                11.7693
 AlphaG Fr= 1--     -0.0452                -0.0244                -1.3436
 Gamma2 Fr= 1--     -1.4638                -9.6115                 5.2026
 Delta2 Fr= 1--     -3.2584                 4.1755               -15.2074
 Raman1 Fr= 1--     272.120                 94.435                452.233
 ROA1   Fr= 1--    -244.791               -789.086                 12.814
 CID1   Fr= 1--      -0.900                 -8.356                  0.028
 Raman2 Fr= 1--      45.956                 40.101                141.232
 ROA2   Fr= 1--      -9.064               -264.079                246.521
 CID2   Fr= 1--      -0.197                 -6.585                  1.746
 Raman3 Fr= 1--      91.912                 80.202                282.464
 ROA3   Fr= 1--    -244.791               -789.086                 12.814
 CID3   Fr= 1--      -2.663                 -9.839                  0.045
 RC180  Fr= 1--      -0.324                  0.699                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    124.0196                54.5648               106.3196
  Dep-P Fr= 1--      0.6598                 0.7073                 0.6889
  Dep-U Fr= 1--      0.7950                 0.8285                 0.8158
 Alpha2 Fr= 1--      0.1997                 0.0405                 0.1140
 Beta2  Fr= 1--     16.4335                 7.5348                14.4557
 AlphaG Fr= 1--     -0.2243                -0.1117                 0.0754
 Gamma2 Fr= 1--      3.0687                -7.9980                 1.0984
 Delta2 Fr= 1--      8.2733                 0.2135                -5.1917
 Raman1 Fr= 1--     496.079                218.259                425.279
 ROA1   Fr= 1--     559.337               -760.971                -60.690
 CID1   Fr= 1--       1.128                 -3.487                 -0.143
 Raman2 Fr= 1--     197.202                 90.417                173.469
 ROA2   Fr= 1--       7.462               -193.659                 67.895
 CID2   Fr= 1--       0.038                 -2.142                  0.391
 Raman3 Fr= 1--     394.404                180.835                346.938
 ROA3   Fr= 1--     559.337               -760.971                -60.690
 CID3   Fr= 1--       1.418                 -4.208                 -0.175
 RC180  Fr= 1--       0.590                  0.657                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     28.8816                54.6136                52.5044
  Dep-P Fr= 1--      0.6763                 0.6978                 0.5953
  Dep-U Fr= 1--      0.8069                 0.8220                 0.7463
 Alpha2 Fr= 1--      0.0376                 0.0497                 0.1508
 Beta2  Fr= 1--      3.8842                 7.4823                 6.5310
 AlphaG Fr= 1--      0.0692                 0.0613                -0.1165
 Gamma2 Fr= 1--     -1.1664                -0.0068                -1.8236
 Delta2 Fr= 1--      2.7084                -0.8464                 2.0433
 Raman1 Fr= 1--     115.526                218.455                210.018
 ROA1   Fr= 1--     -25.310                -27.737               -109.677
 CID1   Fr= 1--      -0.219                 -0.127                 -0.522
 Raman2 Fr= 1--      46.611                 89.788                 78.372
 ROA2   Fr= 1--     -49.662                  6.608                -60.112
 CID2   Fr= 1--      -1.065                  0.074                 -0.767
 Raman3 Fr= 1--      93.222                179.576                156.745
 ROA3   Fr= 1--     -25.310                -27.737               -109.677
 CID3   Fr= 1--      -0.271                 -0.154                 -0.700
 RC180  Fr= 1--       0.614                  0.644                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    125.8809               126.0102               105.6512
  Dep-P Fr= 1--      0.1468                 0.1241                 0.2392
  Dep-U Fr= 1--      0.2560                 0.2208                 0.3860
 Alpha2 Fr= 1--      1.9617                 2.0789                 1.2904
 Beta2  Fr= 1--      5.3719                 4.6371                 6.7973
 AlphaG Fr= 1--      0.1028                -0.3450                -0.3872
 Gamma2 Fr= 1--      1.4519                 0.2366                -5.1734
 Delta2 Fr= 1--      0.6734                -1.1578                 0.1827
 Raman1 Fr= 1--     503.524                504.041                422.605
 ROA1   Fr= 1--     160.931                -14.339               -490.796
 CID1   Fr= 1--       0.320                 -0.028                 -1.161
 Raman2 Fr= 1--      64.463                 55.645                 81.568
 ROA2   Fr= 1--      29.458                 14.940               -125.622
 CID2   Fr= 1--       0.457                  0.268                 -1.540
 Raman3 Fr= 1--     128.926                111.290                163.135
 ROA3   Fr= 1--     160.931                -14.339               -490.796
 CID3   Fr= 1--       1.248                 -0.129                 -3.009
 RC180  Fr= 1--      -0.488                 -0.558                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217001D+03 -0.128859D+01  0.207567D+01
      2  -0.128859D+01  0.136384D+03 -0.770739D+01
      3   0.207567D+01 -0.770739D+01  0.147842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.796631D+01 -0.786363D+01  0.227894D+02
      2  -0.107083D-01 -0.577364D+01  0.356136D+02
      3  -0.981180D+02 -0.427915D+02  0.110598D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.242104D+03  0.390145D+02 -0.219279D+02
      2  -0.128480D+03 -0.240822D+02  0.410217D+02
      3  -0.113624D+03 -0.149323D+02 -0.190938D+02
      4  -0.402828D+02  0.783302D+02 -0.127676D+02
      5  -0.248200D+02 -0.183011D+02  0.739725D+02
      6   0.920129D+00  0.214892D+02 -0.342280D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110117D+02 -0.147580D+00  0.785450D+00  0.548911D+01  0.202174D+01
      2  -0.147580D+00  0.106712D+01  0.119317D+00  0.202174D+01  0.190988D+01
      3   0.785450D+00  0.119317D+00  0.869584D+00 -0.981090D-01 -0.258387D+01
                 6             7             8             9            10 
      1  -0.981090D-01 -0.916089D+01  0.290151D+00 -0.291757D+00  0.287139D+02
      2  -0.258387D+01  0.290151D+00 -0.115742D+01 -0.106645D+01  0.154355D+01
      3  -0.225249D+01 -0.291757D+00 -0.106645D+01 -0.173512D+01 -0.102317D+01
                11            12            13            14            15 
      1   0.154355D+01 -0.102317D+01 -0.672353D+00  0.426325D+01  0.122470D+01
      2   0.201193D+01 -0.609208D+00  0.426325D+01 -0.790468D+00 -0.142255D+00
      3  -0.609208D+00  0.268762D+01  0.122470D+01 -0.142255D+00 -0.660491D+00
                16            17            18            19            20 
      1  -0.357930D+01  0.139664D+01  0.102378D+01  0.799715D+01 -0.478397D-01
      2   0.139664D+01  0.240028D+00 -0.731504D+00 -0.478397D-01 -0.948069D+00
      3   0.102378D+01 -0.731504D+00 -0.279382D+00 -0.591339D+00 -0.410920D+00
                21            22            23            24            25 
      1  -0.591339D+00  0.353334D+01 -0.141712D+01 -0.104867D+01 -0.121217D+02
      2  -0.410920D+00 -0.141712D+01  0.241886D+01 -0.210125D+01 -0.295584D+00
      3  -0.249147D+01 -0.104867D+01 -0.210125D+01 -0.101615D+01  0.442122D+00
                26            27            28            29            30 
      1  -0.295584D+00  0.442122D+00 -0.253728D+02 -0.782563D+00  0.942595D+00
      2  -0.924400D+00 -0.737647D+00 -0.782563D+00 -0.152515D+01  0.116170D+00
      3  -0.737647D+00 -0.155631D+01  0.942595D+00  0.116170D+00 -0.252202D+01
                31            32            33            34            35 
      1   0.239218D+01 -0.471065D+01 -0.135876D+01  0.263122D+01 -0.114864D+01
      2  -0.471065D+01  0.561262D+00  0.339450D+00 -0.114864D+01  0.403511D-01
      3  -0.135876D+01  0.339450D+00 -0.115677D+00 -0.770997D+00 -0.802697D+00
                36            37            38            39            40 
      1  -0.770997D+00  0.119099D+02 -0.275760D+00 -0.678857D+00 -0.367364D+01
      2  -0.802697D+00 -0.275760D+00 -0.193189D+01  0.117795D+01 -0.162381D+01
      3   0.875128D+00 -0.678857D+00  0.117795D+01 -0.156992D+01 -0.156546D+00
                41            42            43            44            45 
      1  -0.162381D+01 -0.156546D+00  0.996273D+01 -0.150184D+01  0.437168D+00
      2  -0.247204D+01  0.234373D+01 -0.150184D+01  0.114247D+01  0.135143D+01
      3   0.234373D+01  0.207269D+01  0.437168D+00  0.135143D+01  0.136370D+01
                46            47            48            49            50 
      1  -0.892719D+01  0.346411D+00  0.271452D+00 -0.262056D+01  0.105248D+01
      2   0.346411D+00  0.146048D+01 -0.572486D+00  0.105248D+01 -0.330777D+01
      3   0.271452D+00 -0.572486D+00  0.277258D+01  0.137927D+01  0.193257D+01
                51            52            53            54            55 
      1   0.137927D+01  0.118221D+02  0.130533D+01 -0.924154D+00 -0.142584D+02
      2   0.193257D+01  0.130533D+01  0.541027D-02  0.140508D+01 -0.214461D+01
      3   0.100642D+01 -0.924154D+00  0.140508D+01  0.663652D+00 -0.510467D+00
                56            57            58            59            60 
      1  -0.214461D+01 -0.510467D+00 -0.560506D+01 -0.721784D+01 -0.668202D+00
      2  -0.342397D+01 -0.156619D+00 -0.721784D+01  0.227632D+01 -0.170563D+01
      3  -0.156619D+00 -0.134474D+01 -0.668202D+00 -0.170563D+01  0.236291D-01
                61            62            63            64            65 
      1  -0.542352D+01 -0.127890D+01 -0.301874D+01 -0.129886D+01  0.302335D+01
      2  -0.127890D+01 -0.298597D+01  0.458944D+00  0.302335D+01  0.365201D+01
      3  -0.301874D+01  0.458944D+00  0.508614D+01  0.140040D+00  0.385574D+00
                66            67            68            69            70 
      1   0.140040D+00  0.105037D+02  0.624387D+01  0.853808D+00  0.555880D+01
      2   0.385574D+00  0.624387D+01 -0.146774D+01  0.212053D+01  0.140356D+01
      3   0.233158D+01  0.853808D+00  0.212053D+01  0.572871D+00  0.352640D+01
                71            72            73            74            75 
      1   0.140356D+01  0.352640D+01  0.601049D+01 -0.248459D+01 -0.119305D+01
      2   0.300718D+01  0.655542D+00 -0.248459D+01 -0.358059D+01 -0.613703D+00
      3   0.655542D+00 -0.693713D+01 -0.119305D+01 -0.613703D+00 -0.178070D+01
                76            77            78            79            80 
      1  -0.378575D+01 -0.391304D+01 -0.898779D+00 -0.211747D+01 -0.970884D+00
      2  -0.391304D+01 -0.248606D+00 -0.281879D+01 -0.970884D+00 -0.382706D+01
      3  -0.898779D+00 -0.281879D+01 -0.120562D+01 -0.254782D+01 -0.186699D+01
                81            82            83            84            85 
      1  -0.254782D+01  0.505170D+01 -0.182801D+01 -0.584139D+00 -0.355462D+01
      2  -0.186699D+01 -0.182801D+01 -0.348362D+01 -0.489413D+00 -0.536124D+01
      3   0.517132D+01 -0.584139D+00 -0.489413D+00 -0.288376D+01 -0.859803D+00
                86            87            88            89            90 
      1  -0.536124D+01 -0.859803D+00 -0.186517D+01 -0.862986D+00 -0.431150D+01
      2   0.210353D+01 -0.363556D+01 -0.862986D+00 -0.371164D+01 -0.311719D+00
      3  -0.363556D+01 -0.467758D+00 -0.431150D+01 -0.311719D+00  0.433737D+01
                91            92            93            94            95 
      1   0.327264D+01  0.265507D+01  0.395801D+00  0.141950D-01  0.554336D+01
      2   0.265507D+01  0.188016D+01  0.867434D+00  0.554336D+01 -0.294470D+01
      3   0.395801D+00  0.867434D+00  0.138484D+01  0.165717D+01  0.197044D+00
                96            97            98            99           100 
      1   0.165717D+01  0.350124D+01  0.156631D+01  0.196006D+01  0.260902D+01
      2   0.197044D+00  0.156631D+01  0.195869D+01  0.189709D+01 -0.141333D+01
      3   0.144084D+01  0.196006D+01  0.189709D+01 -0.428419D+01  0.155791D+01
               101           102           103           104           105 
      1  -0.141333D+01  0.155791D+01 -0.161957D+01 -0.646068D+00 -0.134156D+01
      2   0.144497D+00 -0.748142D+00 -0.646068D+00  0.280217D+01  0.708987D-01
      3  -0.748142D+00  0.429493D+00 -0.134156D+01  0.708987D-01 -0.159682D+01
               106           107           108           109           110 
      1   0.233979D+01 -0.211347D+01  0.112815D+01 -0.520773D+01  0.195345D+01
      2  -0.211347D+01  0.151277D+01 -0.200278D+01  0.195345D+01 -0.151451D+01
      3   0.112815D+01 -0.200278D+01  0.312120D+01 -0.341109D+01  0.618035D+00
               111           112           113           114           115 
      1  -0.341109D+01  0.279217D+01 -0.235775D+01  0.122901D+01 -0.707907D+01
      2   0.618035D+00 -0.235775D+01  0.259986D+01 -0.221981D+01  0.260883D+01
      3  -0.191454D+01  0.122901D+01 -0.221981D+01  0.203202D+01 -0.308560D+01
               116           117           118           119           120 
      1   0.260883D+01 -0.308560D+01  0.874758D+00 -0.781882D-01  0.119345D+01
      2  -0.404578D+01  0.185061D+01 -0.781882D-01  0.209224D+01  0.393095D+00
      3   0.185061D+01 -0.743599D+01  0.119345D+01  0.393095D+00  0.282034D+00
               121           122           123           124           125 
      1  -0.177158D+00  0.198905D+01  0.195572D+00  0.301562D+01 -0.110029D+01
      2   0.198905D+01 -0.486490D+01  0.894190D+00 -0.110029D+01  0.287479D+01
      3   0.195572D+00  0.894190D+00  0.237680D+00 -0.824857D+00  0.235440D+01
               126           127           128           129           130 
      1  -0.824857D+00  0.204433D+01  0.579256D+00 -0.199160D+01  0.258983D+00
      2   0.235440D+01  0.579256D+00  0.301999D+00 -0.414413D+00  0.158058D+00
      3   0.436853D+01 -0.199160D+01 -0.414413D+00  0.201176D+01 -0.714202D+00
               131           132           133           134           135 
      1   0.158058D+00 -0.714202D+00 -0.232811D+01 -0.948558D+00  0.258957D+01
      2   0.483330D+00 -0.731275D+00 -0.948558D+00 -0.133059D+01  0.165657D+01
      3  -0.731275D+00  0.224401D+01  0.258957D+01  0.165657D+01 -0.717430D+01
               136           137           138           139           140 
      1  -0.391031D+01  0.112418D+01 -0.196916D+01  0.163632D+01 -0.562509D+00
      2   0.112418D+01 -0.782106D+00  0.560393D+00 -0.562509D+00  0.609398D+00
      3  -0.196916D+01  0.560393D+00 -0.172738D+01  0.106193D+01 -0.616692D+00
               141           142           143           144           145 
      1   0.106193D+01 -0.238546D+01  0.838898D+00 -0.248821D+01 -0.216874D+01
      2  -0.616692D+00  0.838898D+00 -0.123129D+01  0.142758D+01 -0.672128D+00
      3   0.168580D+01 -0.248821D+01  0.142758D+01 -0.451239D+01  0.209492D+01
               146           147           148           149           150 
      1  -0.672128D+00  0.209492D+01 -0.503411D+00 -0.231297D+00  0.750080D+00
      2  -0.411528D+00  0.628970D+00 -0.231297D+00 -0.705570D+00  0.943348D+00
      3   0.628970D+00 -0.215857D+01  0.750080D+00  0.943348D+00 -0.240181D+01
               151           152           153           154           155 
      1   0.207546D+01  0.101850D+01 -0.268058D+01  0.374553D+01 -0.114873D+01
      2   0.101850D+01  0.164965D+01 -0.238161D+01 -0.114873D+01  0.965704D+00
      3  -0.268058D+01 -0.238161D+01  0.748956D+01  0.256653D+01 -0.105549D+01
               156           157           158           159           160 
      1   0.256653D+01 -0.168445D+01  0.731112D+00 -0.133439D+01  0.271149D+01
      2  -0.105549D+01  0.731112D+00 -0.906297D+00  0.974043D+00 -0.123425D+01
      3   0.226312D+01 -0.133439D+01  0.974043D+00 -0.201164D+01  0.288231D+01
               161           162           163           164           165 
      1  -0.123425D+01  0.288231D+01  0.932439D+00 -0.389111D-01 -0.156833D+01
      2   0.168217D+01 -0.211742D+01 -0.389111D-01  0.717978D+00  0.268680D+00
      3  -0.211742D+01  0.513493D+01 -0.156833D+01  0.268680D+00  0.130897D+01
               166           167           168           169           170 
      1   0.147522D+01  0.119224D+01 -0.108676D-01 -0.346408D+01  0.104796D+00
      2   0.119224D+01 -0.446384D+00 -0.791290D+00  0.104796D+00 -0.110261D+01
      3  -0.108676D-01 -0.791290D+00 -0.144558D-01  0.234768D+01 -0.113367D+01
               171           172           173           174           175 
      1   0.234768D+01  0.409650D+01 -0.191401D+01  0.657529D+00 -0.388448D+01
      2  -0.113367D+01 -0.191401D+01  0.223129D+01 -0.732090D-01  0.337646D+01
      3  -0.624078D+01  0.657529D+00 -0.732090D-01  0.405922D+00 -0.164187D+00
               176           177           178           179           180 
      1   0.337646D+01 -0.164187D+00  0.432900D+01 -0.362310D+00  0.107199D+01
      2  -0.671082D+01  0.829855D+00 -0.362310D+00  0.191213D+01 -0.108972D+01
      3   0.829855D+00 -0.740833D+00  0.107199D+01 -0.108972D+01  0.287955D+00
               181           182           183           184           185 
      1  -0.354888D+00 -0.638877D+00  0.140973D+01 -0.129950D+01 -0.832051D+00
      2  -0.638877D+00 -0.774951D+00 -0.642004D-01 -0.832051D+00  0.212047D+00
      3   0.140973D+01 -0.642004D-01 -0.911944D+00  0.102021D+00  0.822345D+00
               186           187           188           189           190 
      1   0.102021D+00  0.217486D+01  0.135971D+00 -0.663896D+00 -0.879668D+01
      2   0.822345D+00  0.135971D+00  0.999899D+00 -0.596784D-01  0.710963D+00
      3  -0.171267D-01 -0.663896D+00 -0.596784D-01  0.728827D+01  0.483194D+00
               191           192           193           194           195 
      1   0.710963D+00  0.483194D+00  0.151853D+00 -0.147632D+01  0.597754D-01
      2  -0.214118D+01  0.879159D-01 -0.147632D+01  0.716988D+00  0.402022D+00
      3   0.879159D-01 -0.643706D+00  0.597754D-01  0.402022D+00  0.366475D+00
               196           197           198           199           200 
      1   0.590350D+00 -0.645901D-01 -0.447554D+00  0.373419D+00  0.674242D+00
      2  -0.645901D-01  0.685615D+00  0.552196D+00  0.674242D+00  0.943089D+00
      3  -0.447554D+00  0.552196D+00 -0.258154D+00 -0.108414D+01 -0.293864D+00
               201           202           203           204           205 
      1  -0.108414D+01  0.364899D+00  0.662112D+00 -0.117441D+00 -0.173145D+01
      2  -0.293864D+00  0.662112D+00  0.864679D+00 -0.864286D+00 -0.502471D+00
      3   0.127854D+01 -0.117441D+00 -0.864286D+00  0.678277D+00  0.147596D+01
               206           207           208           209           210 
      1  -0.502471D+00  0.147596D+01  0.242153D+01  0.270487D+01  0.967030D+00
      2  -0.190073D+01  0.192399D+01  0.270487D+01  0.327655D+01  0.686277D+00
      3   0.192399D+01 -0.671224D+01  0.967030D+00  0.686277D+00  0.938353D+00
               211           212           213           214           215 
      1   0.245218D+01  0.336361D+01  0.898195D+00  0.178439D+01  0.140148D+01
      2   0.336361D+01  0.697157D+01  0.200833D+01  0.140148D+01  0.329110D+01
      3   0.898195D+00  0.200833D+01  0.135573D+01  0.131452D+01  0.190875D+01
               216           217           218           219           220 
      1   0.131452D+01  0.213340D+01  0.138162D+00 -0.175259D+01  0.436800D+00
      2   0.190875D+01  0.138162D+00  0.618820D+00  0.582255D-01  0.124402D+01
      3   0.120554D+01 -0.175259D+01  0.582255D-01  0.170026D+01  0.170190D-01
               221           222           223           224           225 
      1   0.124402D+01  0.170190D-01 -0.421962D+01  0.121609D+00  0.333207D+01
      2  -0.166329D+00 -0.559412D+00  0.121609D+00 -0.914752D+00 -0.201284D-01
      3  -0.559412D+00  0.113861D+00  0.333207D+01 -0.201284D-01 -0.611767D+01
               226           227           228           229           230 
      1   0.192243D+01 -0.189020D+01  0.928497D+00 -0.377529D+01  0.332554D+01
      2  -0.189020D+01  0.182355D+01 -0.531424D+00  0.332554D+01 -0.589980D+01
      3   0.928497D+00 -0.531424D+00  0.828497D+00 -0.984175D+00  0.194287D+01
               231           232           233           234           235 
      1  -0.984175D+00  0.186514D+01 -0.890889D+00  0.162985D+01  0.498217D+01
      2   0.194287D+01 -0.890889D+00  0.207957D+01 -0.139742D+01  0.256262D+01
      3  -0.148029D+01  0.162985D+01 -0.139742D+01  0.115777D+01  0.182270D+01
               236           237           238           239           240 
      1   0.256262D+01  0.182270D+01  0.528633D+01  0.355164D+01  0.153088D+01
      2   0.194160D+01  0.866921D+00  0.355164D+01  0.355549D+01  0.183942D+01
      3   0.866921D+00  0.135823D+01  0.153088D+01  0.183942D+01  0.157042D+01
               241           242           243           244           245 
      1   0.346816D+01  0.138641D+01  0.248385D+01  0.309234D+00 -0.834910D+00
      2   0.138641D+01  0.193662D+01  0.140049D+01 -0.834910D+00 -0.530916D+00
      3   0.248385D+01  0.140049D+01  0.170509D+01  0.149796D+01  0.108651D+00
               246           247           248           249           250 
      1   0.149796D+01 -0.118379D+01 -0.106626D+01  0.214253D+00  0.252265D+01
      2   0.108651D+00 -0.106626D+01 -0.598624D+00  0.112595D+01  0.210290D+00
      3  -0.118534D+01  0.214253D+00  0.112595D+01 -0.120591D+01 -0.194022D+01
               251           252           253           254           255 
      1   0.210290D+00 -0.194022D+01  0.812190D+01 -0.233962D+00 -0.173319D+01
      2   0.141812D+01 -0.104092D+01 -0.233962D+00 -0.339561D+01 -0.692640D+00
      3  -0.104092D+01  0.613941D+01 -0.173319D+01 -0.692640D+00 -0.994920D+00
               256           257           258           259           260 
      1  -0.425040D+01 -0.376136D+01 -0.115816D+01 -0.584585D+01 -0.155402D+01
      2  -0.376136D+01  0.367515D+01 -0.145142D+01 -0.155402D+01 -0.255186D+01
      3  -0.115816D+01 -0.145142D+01 -0.169631D+01 -0.154060D+01 -0.139004D+01
               261           262           263           264           265 
      1  -0.154060D+01 -0.987310D+00  0.139128D+01  0.466615D+00  0.165917D+01
      2  -0.139004D+01  0.139128D+01 -0.191483D+01 -0.431299D+00 -0.266882D+01
      3   0.379978D+01  0.466615D+00 -0.431299D+00 -0.403442D+00 -0.506811D+00
               266           267           268           269           270 
      1  -0.266882D+01 -0.506811D+00 -0.274478D+00  0.561770D+00 -0.210517D+00
      2   0.856332D+01  0.157309D+01  0.561770D+00 -0.136560D+01  0.512080D+00
      3   0.157309D+01  0.148472D+01 -0.210517D+00  0.512080D+00  0.414421D+00
               271           272           273           274           275 
      1  -0.147940D+02 -0.209771D+01  0.246946D+00  0.136532D+00 -0.123898D+01
      2  -0.209771D+01 -0.140915D+01 -0.129775D+00 -0.123898D+01 -0.536250D+00
      3   0.246946D+00 -0.129775D+00 -0.103085D+01  0.117674D+00  0.257122D+00
               276           277           278           279           280 
      1   0.117674D+00  0.206543D+01  0.482743D+00 -0.127369D+01  0.816064D-01
      2   0.257122D+00  0.482743D+00  0.647242D+00 -0.257169D-01 -0.970189D+00
      3   0.244810D+00 -0.127369D+01 -0.257169D-01  0.293106D-01  0.342936D+00
               281           282           283           284           285 
      1  -0.970189D+00  0.342936D+00 -0.136687D+01 -0.475204D-01 -0.163173D-01
      2   0.211969D+01  0.189949D+00 -0.475204D-01 -0.850279D+01  0.997471D-01
      3   0.189949D+00  0.433415D+00 -0.163173D-01  0.997471D-01 -0.865091D+00
               286           287           288           289           290 
      1   0.101723D+01  0.301027D+00  0.140294D+00 -0.515596D+00  0.234687D+00
      2   0.301027D+00  0.124732D+01 -0.886584D+00  0.234687D+00  0.519365D+00
      3   0.140294D+00 -0.886584D+00 -0.745333D-01 -0.680152D+00  0.153244D+00
               291           292           293           294           295 
      1  -0.680152D+00  0.107395D+01  0.414090D+00  0.145627D+00 -0.183948D+01
      2   0.153244D+00  0.414090D+00  0.245251D+00 -0.495011D+00 -0.304637D+00
      3   0.278513D+00  0.145627D+00 -0.495011D+00  0.618229D+00 -0.765086D+00
               296           297 
      1  -0.304637D+00 -0.765086D+00
      2  -0.128143D+01 -0.292086D+00
      3  -0.292086D+00 -0.632090D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142118D+01 -0.217834D+01  0.938434D+00 -0.644566D+01 -0.184286D+01
      2   0.230193D+01 -0.239723D+01  0.100265D+02 -0.195551D+01  0.160832D+01
      3   0.150245D+02 -0.152443D+01  0.276861D+01  0.796341D+01 -0.183431D+01
                 6             7             8             9            10 
      1  -0.240378D+01 -0.146386D+01  0.153943D+01 -0.278548D+00 -0.142960D+01
      2  -0.300508D+01 -0.439797D+01 -0.975808D+00  0.232069D+01  0.306410D+00
      3   0.224070D+01  0.126266D+02  0.208045D+00  0.243127D+01 -0.280734D+02
                11            12            13            14            15 
      1   0.166061D+00  0.167278D+01  0.215027D+01  0.379249D+01 -0.800096D+01
      2   0.826701D+00 -0.361844D+01  0.428983D+01  0.188424D-01  0.910759D+00
      3  -0.127021D+01  0.467073D+00  0.108472D+02 -0.967226D+00 -0.399845D+00
                16            17            18            19            20 
      1  -0.328844D+01 -0.162848D+01 -0.441559D+01 -0.193262D+00  0.140016D+01
      2  -0.231309D+02 -0.135041D+01 -0.326703D+01 -0.304791D+01 -0.219557D+01
      3  -0.964822D+00 -0.147582D+01 -0.122624D+01 -0.873723D+01 -0.158976D+01
                21            22            23            24            25 
      1  -0.109535D+01  0.561396D+01 -0.193166D+01 -0.346606D+01  0.454316D+01
      2   0.306419D+01 -0.382164D+01 -0.199285D+01  0.541341D+00 -0.235798D+01
      3   0.252757D+01  0.853578D+01  0.157845D+01 -0.269576D+01  0.150040D+02
                26            27            28            29            30 
      1   0.153994D+01 -0.134896D+01  0.118381D+01  0.610611D+00 -0.235456D+01
      2   0.756272D+00 -0.563272D+00  0.907907D+00  0.203438D+01 -0.303883D+01
      3  -0.617607D+00 -0.375429D+01  0.229858D+02  0.114302D+01 -0.247611D+01
                31            32            33            34            35 
      1  -0.138132D+01  0.443438D+01 -0.829041D+01 -0.466137D+01 -0.115515D+01
      2   0.449451D+01  0.379196D+00  0.280455D+01 -0.236528D+02  0.279952D+01
      3   0.743054D+01  0.501513D+01  0.675714D+00 -0.543914D+01 -0.201546D+01
                36            37            38            39            40 
      1  -0.328074D+01 -0.163104D+01 -0.770856D+00 -0.103475D+01 -0.571678D+01
      2  -0.219921D+01 -0.520204D+00 -0.260695D+01  0.902002D+01 -0.315189D+01
      3   0.161872D+01 -0.118726D+02 -0.100579D+01  0.288512D+01  0.140728D+02
                41            42            43            44            45 
      1   0.146203D+01  0.702397D+00 -0.204729D+01  0.353668D+01  0.211010D+01
      2   0.124407D+01 -0.236099D+01 -0.719259D+01 -0.637309D+00  0.206787D+01
      3  -0.418306D+00  0.239184D+01 -0.865317D+01  0.316380D+01  0.143546D+01
                46            47            48            49            50 
      1   0.765976D+00  0.114838D+01  0.225871D+01  0.787340D+01  0.134170D+01
      2  -0.773536D+00 -0.208077D+01  0.360518D+01 -0.315039D+01 -0.143738D+01
      3   0.120653D+02 -0.189414D+01 -0.267117D-01  0.130792D+02  0.102499D+01
                51            52            53            54            55 
      1  -0.265739D+01  0.269898D+01  0.330740D+01  0.433380D+00 -0.130065D+01
      2   0.115209D+01 -0.272704D+01  0.103028D+01 -0.913416D+00 -0.438311D+01
      3  -0.425610D+01 -0.960379D+01 -0.148308D+01 -0.127072D+01  0.156833D+02
                56            57            58            59            60 
      1   0.754340D-01 -0.763664D+00 -0.176715D-01 -0.508463D+01 -0.122359D+01
      2   0.296375D+00 -0.585075D+00 -0.257656D+01 -0.104924D+02  0.132657D+01
      3   0.911205D+01  0.530950D+00  0.354352D+02 -0.815148D-01  0.630472D+01
                61            62            63            64            65 
      1  -0.430936D+00  0.410371D+01  0.463771D+01  0.180502D+01  0.107654D+01
      2  -0.204518D+02  0.699349D-01  0.193983D+02  0.462820D+01  0.157829D+01
      3   0.935004D+01  0.108525D+02  0.216237D+01 -0.191000D+02 -0.193907D+02
                66            67            68            69            70 
      1  -0.169739D+01 -0.439668D+00 -0.176241D+01 -0.233235D+01  0.455444D+00
      2   0.127082D+02  0.504986D+01  0.101032D+02  0.875906D+00  0.110640D+02
      3  -0.167631D+01 -0.239813D+02  0.535101D+01 -0.867402D+01 -0.101247D+02
                71            72            73            74            75 
      1   0.460655D+01  0.440445D+01  0.235912D+01  0.218071D+01  0.446274D+01
      2   0.345734D+01 -0.321691D+02 -0.138175D+01 -0.379376D+01 -0.435287D+01
      3  -0.126703D+02 -0.276287D+01  0.251529D+02  0.337237D+01  0.338933D+00
                76            77            78            79            80 
      1   0.295815D+01  0.893208D+01  0.164733D+01  0.643370D+01  0.846789D+01
      2  -0.490932D+01 -0.104473D+02 -0.432698D+01 -0.114379D+02 -0.647799D+01
      3   0.983634D+01 -0.678499D+01  0.818655D+01  0.117320D+01  0.112688D+02
                81            82            83            84            85 
      1  -0.114580D+02 -0.442705D+00 -0.359487D+00  0.279611D+00 -0.269370D+00
      2   0.176301D+02 -0.610932D+01 -0.213504D+01 -0.145843D+02 -0.392240D+01
      3   0.281820D+01  0.971397D+01  0.181296D+02  0.268224D+01  0.362342D+02
                86            87            88            89            90 
      1   0.110227D+01 -0.254033D+01  0.497641D+00  0.116501D+01 -0.104451D+01
      2  -0.202105D+02 -0.128451D+01 -0.293644D+02 -0.146964D+01  0.255247D+02
      3  -0.130569D+02  0.209953D+02  0.441899D+01  0.209448D+02  0.192713D+01
                91            92            93            94            95 
      1   0.105123D+01  0.251492D+00  0.181252D+01  0.215408D+01 -0.127535D+01
      2  -0.373639D+01 -0.328000D+01 -0.357814D+00 -0.379343D+01 -0.354714D+01
      3  -0.518990D+00  0.155225D+00  0.259130D+01  0.319915D+02 -0.144523D+02
                96            97            98            99           100 
      1  -0.311169D+01  0.303184D+01  0.503624D+01 -0.179086D+01 -0.924783D+00
      2  -0.643396D+01 -0.160413D+02 -0.678832D+01  0.156056D+02  0.152913D+01
      3  -0.278861D+00  0.154560D+01  0.486253D+01  0.500569D+01  0.117172D+02
               101           102           103           104           105 
      1  -0.538441D+01 -0.478921D+01 -0.751946D+00 -0.459043D+00  0.162965D+01
      2   0.304406D+01  0.418056D+01  0.208320D+01  0.138322D+01  0.119674D+02
      3  -0.130878D+02 -0.440422D+01 -0.720548D+01  0.170784D+01  0.267381D+01
               106           107           108           109           110 
      1  -0.625044D+01  0.269037D+00 -0.377915D+01  0.416200D+01  0.295976D+01
      2  -0.338997D+01  0.852051D+01 -0.175475D+02  0.969650D+01 -0.260682D+01
      3  -0.869047D+01  0.114007D+02 -0.513410D+01 -0.591955D+00 -0.492777D+01
               111           112           113           114           115 
      1   0.378891D+01 -0.213048D+00  0.615298D+00 -0.622274D+01  0.378974D+01
      2   0.925279D+01 -0.780900D+00  0.769562D+01 -0.102086D+02  0.422430D+01
      3   0.454831D+00 -0.378636D+01  0.114852D+02 -0.793417D+01  0.102443D+02
               116           117           118           119           120 
      1   0.507055D+01  0.111681D+02 -0.352086D+01  0.300486D+01  0.226863D+00
      2  -0.591154D+01  0.302720D+02 -0.553648D+01 -0.656658D+00  0.244074D+00
      3  -0.176595D+02  0.522662D+01 -0.967130D+00  0.665803D+01  0.401576D+01
               121           122           123           124           125 
      1   0.122186D+01 -0.535306D+01 -0.312754D+01 -0.245936D+01  0.736413D+01
      2  -0.210460D+01 -0.500018D+01 -0.195164D+01 -0.222780D+01 -0.672109D+01
      3   0.745681D+01 -0.118038D+02  0.341732D+01 -0.219934D+01  0.891315D+01
               126           127           128           129           130 
      1  -0.652740D+01 -0.159277D+01 -0.188155D+01  0.940471D+00 -0.189285D+00
      2  -0.145330D+02  0.462451D+01  0.859196D+00 -0.126834D+01  0.266668D+00
      3   0.765743D+01 -0.209791D+00 -0.842414D+00  0.727558D+00  0.993504D+00
               131           132           133           134           135 
      1  -0.134099D+01 -0.111652D+00  0.295106D+01  0.547500D+01 -0.458331D+01
      2  -0.156633D+00  0.563209D+00 -0.490641D+01 -0.666651D+00 -0.158182D+01
      3  -0.394464D+00  0.237774D+00  0.782492D+00  0.212869D+01 -0.151457D+01
               136           137           138           139           140 
      1  -0.255398D+01  0.302873D+01 -0.708441D+00  0.934635D+00 -0.118787D+01
      2  -0.833666D+01  0.200990D+01 -0.133533D+01  0.213551D+01 -0.515289D+00
      3   0.653377D+00 -0.153990D+01  0.679349D+00  0.810812D+00  0.110098D+01
               141           142           143           144           145 
      1  -0.677215D+00 -0.177539D+01  0.389447D+01 -0.270370D+01  0.167521D+01
      2  -0.351254D-01 -0.387381D+01  0.315817D+00  0.846171D+00  0.432244D+01
      3  -0.271012D+00  0.713706D+00 -0.247822D+01  0.170023D+01  0.279056D+01
               146           147           148           149           150 
      1  -0.102286D+01 -0.216602D+01  0.102880D+01 -0.364451D-01 -0.349204D+01
      2   0.530170D+00 -0.118714D+01  0.434019D+00 -0.126140D+00  0.552601D+00
      3   0.184257D-01 -0.207580D+01  0.165494D+01 -0.338571D+00 -0.608917D+00
               151           152           153           154           155 
      1  -0.156000D+01  0.237520D+01  0.545601D+01  0.238124D+01  0.146261D+01
      2  -0.429872D+01 -0.327964D+00 -0.106906D+01 -0.547767D+01  0.474394D+00
      3  -0.228580D+01  0.841274D+00  0.179364D+01 -0.504774D+01 -0.648995D+00
               156           157           158           159           160 
      1   0.216349D+01 -0.126050D+01  0.192766D+00 -0.356921D+01  0.220257D+01
      2  -0.757101D+00  0.107403D+01  0.192567D+00 -0.926278D+00 -0.308997D+01
      3  -0.241967D+01  0.369391D+01  0.657339D+00  0.929104D+00 -0.293896D+01
               161           162           163           164           165 
      1   0.152801D+01  0.400978D+01 -0.147196D+01 -0.596718D+00  0.113084D+01
      2  -0.151100D+00  0.194191D+01 -0.574866D+01  0.491687D+00  0.481506D+01
      3  -0.129687D+01 -0.170657D+01 -0.161703D+01 -0.332690D+01  0.771515D+00
               166           167           168           169           170 
      1   0.184410D-01 -0.321536D+00 -0.725495D+00  0.228022D+01  0.209884D+01
      2   0.643061D+00 -0.160005D+01  0.347798D+00  0.202613D+01 -0.372921D+01
      3  -0.325717D+01  0.381776D+00  0.208614D+01  0.293784D+01  0.386216D+01
               171           172           173           174           175 
      1  -0.642339D+01  0.112955D+01 -0.107728D+01  0.138153D+01 -0.154428D+01
      2  -0.205453D+02  0.473330D+01 -0.148443D+01  0.319841D+01 -0.228856D+01
      3   0.188311D+00  0.101484D+01 -0.651205D+01 -0.249550D+00 -0.401072D+01
               176           177           178           179           180 
      1   0.360785D+01 -0.327603D+01  0.151944D+01 -0.119172D+01  0.105993D+01
      2   0.562549D+01 -0.349584D+01  0.345432D+01 -0.409447D+01  0.901228D+00
      3   0.183329D+02 -0.210086D+01 -0.323197D+01 -0.612592D+01  0.199782D+01
               181           182           183           184           185 
      1  -0.200135D+01 -0.130733D+01  0.868328D+00 -0.823185D+00 -0.299112D+00
      2   0.759810D+01  0.412552D+00 -0.451133D+01  0.148051D+01  0.399558D+01
      3   0.191591D+01  0.227866D+01  0.391819D+00  0.501526D+01 -0.787833D+00
               186           187           188           189           190 
      1  -0.347697D+00  0.148379D+01  0.333936D+01 -0.407087D+01 -0.135732D+00
      2  -0.682214D+00 -0.844272D+01 -0.106441D+01  0.301564D+02 -0.106923D+01
      3  -0.322183D+01 -0.941235D-02 -0.348592D+01 -0.104726D+00 -0.264708D+02
               191           192           193           194           195 
      1   0.267926D+00  0.218696D+01 -0.552175D-01 -0.111181D+01 -0.114639D+01
      2   0.583424D+00 -0.341099D+00  0.651898D+00  0.112116D+01  0.252521D+00
      3   0.613780D+01  0.849731D+00  0.704960D+01 -0.442085D+01 -0.136300D+01
               196           197           198           199           200 
      1   0.231221D+01  0.339884D+00  0.560903D+00  0.237289D+01 -0.804858D-01
      2  -0.371955D+01  0.123577D+01 -0.850921D+00 -0.366995D+01 -0.105889D+01
      3   0.103488D+01 -0.245714D+01 -0.294425D+01 -0.255461D+01 -0.323296D+01
               201           202           203           204           205 
      1  -0.270383D+01  0.243914D+00  0.133713D+01 -0.220445D+01 -0.282411D+01
      2   0.459736D+01 -0.412680D+00 -0.261936D+01  0.175357D+01  0.873370D+00
      3  -0.636192D+00 -0.641522D+00 -0.165472D+01  0.260311D+01 -0.209104D+01
               206           207           208           209           210 
      1  -0.301989D+00  0.150133D+02 -0.273552D+01 -0.206749D+01 -0.359097D+01
      2   0.612779D+01 -0.225479D+02  0.359121D+01  0.291077D+01  0.449915D+01
      3   0.673138D+01 -0.498688D+01 -0.463644D+01 -0.820770D+01 -0.454043D+00
               211           212           213           214           215 
      1  -0.336534D+01 -0.570537D+01 -0.567200D+01 -0.346433D+01 -0.346109D+01
      2   0.320472D+01  0.765447D+01  0.574644D+01  0.365890D+01  0.685224D+01
      3  -0.362298D+01 -0.190578D+02 -0.506747D+01 -0.638968D+00 -0.974838D+01
               216           217           218           219           220 
      1  -0.358423D+01  0.291028D+00 -0.463150D+00 -0.655834D-01  0.376030D-01
      2   0.451059D+01 -0.979181D+01  0.276961D+00  0.109513D+02  0.472885D-01
      3  -0.444507D+01 -0.645515D+00 -0.436073D+01 -0.372976D+00 -0.538416D+01
               221           222           223           224           225 
      1   0.697052D-01 -0.777992D+00 -0.557664D+00  0.242584D+01  0.915606D+00
      2  -0.300524D+01  0.561960D+00  0.157527D+02 -0.740336D-01 -0.358651D+02
      3   0.997325D+00  0.276310D+01 -0.788918D+00  0.588639D+01 -0.174156D+00
               226           227           228           229           230 
      1  -0.777266D+00  0.700554D+00  0.391388D+00  0.806400D+00 -0.248019D+01
      2   0.465040D+01 -0.252099D+01  0.516759D+01 -0.381389D+01  0.103965D+02
      3   0.101645D+02 -0.112137D+02  0.305555D+01 -0.148976D+02  0.335964D+02
               231           232           233           234           235 
      1  -0.152515D+01 -0.281057D+00  0.177153D+01  0.113342D+00  0.269012D+00
      2  -0.911688D+01  0.688728D+01 -0.758623D+01  0.597888D+01  0.838671D+01
      3  -0.108328D+02  0.426585D+01 -0.120749D+02  0.740512D+01 -0.126724D+02
               236           237           238           239           240 
      1   0.830214D+00 -0.873253D+00  0.464451D+00  0.121801D+01 -0.140107D+01
      2   0.410538D+01  0.891898D+01  0.651468D+01  0.945615D+01  0.948309D+01
      3  -0.125917D+02 -0.465935D+01 -0.168286D+02 -0.204287D+02 -0.102178D+02
               241           242           243           244           245 
      1  -0.533829D+00  0.149341D+01 -0.660045D+00  0.427952D+00 -0.383810D+00
      2   0.112651D+02  0.742476D+01  0.903345D+01 -0.597695D+01 -0.510511D-01
      3  -0.653072D+01 -0.116272D+02 -0.745821D+01 -0.261528D+01 -0.193267D+01
               246           247           248           249           250 
      1  -0.837581D+00 -0.133467D+00  0.143248D+00 -0.870877D+00 -0.132252D+01
      2   0.373916D+01  0.171905D+00 -0.283322D+01  0.422537D+01  0.146485D+01
      3  -0.569732D+00 -0.118847D+01 -0.119181D+01  0.308290D+01 -0.109043D+01
               251           252           253           254           255 
      1   0.259337D+01  0.338837D+01 -0.230796D+01  0.112556D+01 -0.239246D+01
      2   0.359147D+01 -0.195312D+02  0.144489D+02  0.368058D+01  0.640066D+01
      3   0.379507D+01 -0.213182D+01 -0.153800D+02 -0.158012D+02  0.122615D+00
               256           257           258           259           260 
      1  -0.145789D+01 -0.643579D+01 -0.396177D+01 -0.792430D+00  0.148875D+01
      2   0.476175D+01  0.526515D+01  0.607249D+01  0.404748D+01  0.514839D+01
      3  -0.723422D+01  0.208802D+02 -0.412073D+01  0.693447D+00 -0.687176D+01
               261           262           263           264           265 
      1   0.926811D+01  0.952148D+00 -0.179356D+01  0.456349D+00 -0.272985D+01
      2  -0.186004D+02 -0.581381D+00  0.139637D+00  0.105812D+01 -0.167715D+00
      3  -0.445912D+01  0.297783D+01 -0.456788D+01 -0.174985D+01 -0.416532D+01
               266           267           268           269           270 
      1   0.879463D+01 -0.162251D+01  0.508473D+00 -0.136744D+01  0.801985D+00
      2  -0.269795D+01 -0.466491D+01  0.313078D+00 -0.173728D+01 -0.881875D+00
      3   0.260918D+02  0.471021D+01  0.141140D+01 -0.460965D+01  0.159390D+01
               271           272           273           274           275 
      1   0.113555D+01  0.535828D+00 -0.220086D+01  0.952150D+00  0.702674D+00
      2  -0.796297D+01 -0.288470D+00  0.751305D+01 -0.993682D+00 -0.163845D+01
      3   0.147674D+02 -0.551895D+01 -0.110188D+01 -0.380201D+01 -0.208394D+00
               276           277           278           279           280 
      1  -0.162367D+00 -0.226851D+01  0.633596D+00 -0.173157D+00  0.155400D+01
      2  -0.621645D+00  0.471805D+01 -0.171026D+00 -0.264251D+00 -0.117165D+01
      3   0.100223D+01 -0.113739D+01  0.194025D+01  0.198433D+01 -0.586860D+01
               281           282           283           284           285 
      1  -0.865924D+00  0.168964D+01 -0.425607D+00  0.528844D+01 -0.397520D+01
      2  -0.980541D+00 -0.129644D+01 -0.794915D+00 -0.224775D+00  0.291616D+01
      3   0.869605D+01 -0.319225D+00  0.527597D+01 -0.316067D+02  0.843313D+00
               286           287           288           289           290 
      1   0.831309D+00 -0.141663D+01  0.528095D+00 -0.191748D+01 -0.592187D+00
      2  -0.174030D+01  0.306836D+01  0.443718D+00  0.458110D+01  0.277295D-01
      3  -0.126065D+01  0.417741D+01 -0.348751D+01  0.159870D+01  0.108851D+01
               291           292           293           294           295 
      1   0.624375D+00 -0.269126D+00 -0.255160D+01  0.985262D+00 -0.204574D+00
      2  -0.179486D+01  0.133464D+01  0.240526D+01 -0.293924D+01 -0.182135D+01
      3   0.118577D+01  0.114465D+01  0.641257D+00 -0.206599D+01  0.147733D+01
               296           297 
      1   0.325717D+01 -0.116014D+02
      2   0.182547D+00  0.252639D+02
      3  -0.427935D+01  0.614847D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.999930D+00 -0.871270D+01  0.226778D+02  0.154035D+02 -0.278316D+01
      2   0.620553D+01  0.384536D+01 -0.837807D+01 -0.343741D+01  0.432593D+01
      3  -0.520560D+01  0.486734D+01 -0.142997D+02 -0.119661D+02 -0.154277D+01
      4  -0.194323D+01  0.214380D+01  0.554052D+00  0.819335D+01  0.453464D+01
      5   0.206161D+02  0.111339D+01 -0.694869D+01 -0.511944D+01 -0.237231D+01
      6  -0.191145D+00 -0.271334D+01  0.152494D+01 -0.927806D+00  0.411331D+01
                 6             7             8             9            10 
      1  -0.171847D+02 -0.213813D+02 -0.986605D+01  0.691522D+01  0.468661D+02
      2   0.123692D+01  0.297644D+01  0.214042D+01  0.342829D+01 -0.177938D+02
      3   0.159478D+02  0.184049D+02  0.772563D+01 -0.103435D+02 -0.290722D+02
      4  -0.395405D+01  0.359426D+01 -0.184579D+01 -0.480358D+01 -0.110624D+02
      5  -0.432183D+01  0.930581D+01 -0.449949D+01  0.598980D+01 -0.490135D+01
      6   0.115594D+02 -0.720687D+01  0.445848D+01  0.142627D+02  0.248182D+01
                11            12            13            14            15 
      1   0.733560D+01 -0.106930D+01  0.980193D+01 -0.140919D+01  0.751848D+01
      2  -0.601867D+01  0.262348D+01 -0.906957D+01  0.720419D+01 -0.944678D+00
      3  -0.131692D+01 -0.155418D+01 -0.732355D+00 -0.579500D+01 -0.657380D+01
      4   0.277244D+01 -0.289691D+01  0.170243D+02 -0.482593D+01 -0.693766D+00
      5  -0.342184D+01  0.641327D+01  0.111046D+02 -0.603884D+00 -0.146437D+01
      6   0.139833D+00 -0.585761D+01 -0.475096D+01  0.396703D+01  0.778739D+01
                16            17            18            19            20 
      1  -0.107757D+02  0.765681D+01 -0.213571D+02 -0.955159D+00  0.595749D+01
      2  -0.468006D+00  0.393733D+01  0.321209D+01 -0.172388D+01 -0.228960D+01
      3   0.112437D+02 -0.115941D+02  0.181450D+02  0.267904D+01 -0.366790D+01
      4   0.146999D+02  0.130353D+01 -0.232536D+01  0.426114D+01 -0.417607D+00
      5  -0.157614D+02 -0.172166D+01 -0.367326D+01 -0.183806D+02  0.220618D+01
      6  -0.420621D+01  0.192970D+01 -0.535176D+01  0.310379D+01  0.426504D+01
                21            22            23            24            25 
      1  -0.266368D+02 -0.870980D+01 -0.505220D+01 -0.613166D+01  0.228053D+02
      2   0.759880D+01 -0.195987D+01  0.705964D+01  0.358904D-01 -0.648566D+00
      3   0.190380D+02  0.106697D+02 -0.200744D+01  0.609577D+01 -0.221568D+02
      4   0.174168D+01  0.380245D+01 -0.157309D+01  0.366761D+01  0.407497D+01
      5  -0.183459D+01  0.914501D+00  0.198219D+01  0.631608D+01  0.120445D+02
      6   0.352537D+01  0.303267D+01  0.228390D+01  0.697168D+01  0.998340D+01
                26            27            28            29            30 
      1  -0.906825D+01  0.963258D+01  0.119464D+02  0.221791D+00  0.727920D+00
      2   0.219981D+01 -0.251831D+01 -0.183790D+01  0.423264D+01  0.758957D+00
      3   0.686844D+01 -0.711427D+01 -0.101085D+02 -0.445443D+01 -0.148688D+01
      4   0.331590D+01  0.719182D+01  0.234783D+02  0.260789D+01 -0.138863D+01
      5   0.526561D+01 -0.458888D+01  0.221783D+01 -0.754443D+00  0.687689D+01
      6   0.180883D+01  0.105153D+02  0.335480D+01 -0.119487D+01  0.364777D+01
                31            32            33            34            35 
      1  -0.526540D+00 -0.178462D+01  0.871283D+01 -0.969917D+01  0.102486D+02
      2   0.645383D+01  0.486151D+01 -0.228719D+01  0.188136D+01  0.244562D+01
      3  -0.592729D+01 -0.307688D+01 -0.642564D+01  0.781781D+01 -0.126942D+02
      4   0.155251D+02 -0.923189D-01  0.182440D+01  0.111896D+02  0.485656D+01
      5   0.123657D+02  0.600991D+00  0.113631D+01 -0.184168D+02  0.202779D+01
      6  -0.118235D+01  0.402859D+01  0.625941D+01 -0.169227D+01  0.210399D+01
                36            37            38            39            40 
      1  -0.238903D+02  0.112155D+02 -0.128473D+02  0.247110D+02  0.348839D+01
      2   0.435427D+01  0.474108D-01  0.995632D+01 -0.116290D+02  0.494042D+01
      3   0.195360D+02 -0.112629D+02  0.289094D+01 -0.130820D+02 -0.842881D+01
      4   0.970648D-01 -0.103609D+02 -0.917157D+00  0.413790D+01  0.140805D+02
      5  -0.256888D+01  0.151056D+02  0.207541D+01 -0.855053D+01 -0.291532D+01
      6  -0.736547D+01  0.557009D-01 -0.472064D+01  0.552449D+01 -0.564513D+00
                41            42            43            44            45 
      1  -0.101466D+02 -0.840131D+01 -0.167452D+02 -0.595944D+01  0.109562D+02
      2   0.157535D+02 -0.930662D+01  0.164987D+01 -0.247096D+01 -0.144654D+01
      3  -0.560687D+01  0.177079D+02  0.150953D+02  0.843040D+01 -0.950964D+01
      4   0.638749D+01 -0.304627D+01 -0.396996D+01 -0.212807D+01 -0.616993D+01
      5  -0.164286D+01 -0.305245D+01  0.763914D+01 -0.564265D+01  0.794008D+01
      6  -0.550421D+01  0.544646D+01 -0.926789D+01  0.206411D+00  0.917750D+01
                46            47            48            49            50 
      1  -0.998549D+01  0.943450D+01 -0.257512D+02 -0.586791D+01 -0.147908D+02
      2   0.281098D+01 -0.694735D+01  0.828274D+01 -0.574712D+01  0.209631D+02
      3   0.717451D+01 -0.248715D+01  0.174684D+02  0.116150D+02 -0.617230D+01
      4   0.997465D+01  0.761766D-01  0.370376D+01  0.543144D+01 -0.624708D+01
      5  -0.157137D+02  0.440085D+01 -0.336647D+01  0.489253D+01  0.184771D+01
      6   0.348956D+01  0.417097D+01 -0.425105D+01 -0.252110D+00 -0.493993D+01
                51            52            53            54            55 
      1   0.149614D+01  0.349857D+02 -0.518546D+01  0.106876D+02 -0.360254D+02
      2  -0.945758D+01 -0.831172D+01 -0.793071D-01 -0.527653D+01  0.121653D+02
      3   0.796144D+01 -0.266740D+02  0.526477D+01 -0.541102D+01  0.238601D+02
      4   0.128372D+01 -0.438369D+01 -0.396464D+00  0.751024D+01  0.442941D+00
      5   0.632541D+01  0.482105D+01  0.643940D+01 -0.681754D+01 -0.406408D+01
      6   0.400096D+01  0.110977D+02 -0.269169D+01  0.808847D+01  0.181804D+01
                56            57            58            59            60 
      1  -0.108813D+02 -0.448475D+01 -0.380172D+02 -0.292212D+02 -0.491274D+01
      2   0.808637D+01 -0.963833D+00  0.264559D+02  0.317483D+01  0.474685D+01
      3   0.279495D+01  0.544858D+01  0.115613D+02  0.260464D+02  0.165898D+00
      4  -0.233231D+02 -0.396326D+00 -0.495932D+02  0.244277D+02 -0.120710D+02
      5  -0.870431D+00 -0.964711D+01 -0.499792D+01 -0.124340D+02  0.886993D+00
      6   0.538246D+00  0.172603D+01 -0.640554D-01  0.368806D+01 -0.770938D-01
                61            62            63            64            65 
      1  -0.286155D+02 -0.762280D+01 -0.723367D+01 -0.487571D+02  0.154499D+02
      2   0.509578D+01  0.748890D+01  0.115963D+02  0.310198D+02 -0.337958D+01
      3   0.235197D+02  0.133909D+00 -0.436265D+01  0.177374D+02 -0.120703D+02
      4  -0.492871D+01 -0.204496D+02  0.592086D+01  0.165680D+02  0.267609D+02
      5  -0.235384D+02  0.315026D+01  0.367524D+02  0.170378D+00  0.306974D+01
      6   0.359052D+01 -0.165097D+01 -0.692204D+01  0.693623D+00 -0.178577D+01
                66            67            68            69            70 
      1  -0.149057D+01  0.511503D+02  0.473311D+02  0.713204D+00  0.203680D+02
      2  -0.211874D+01 -0.218785D+02 -0.258296D+02  0.152061D+01 -0.863068D+01
      3   0.360931D+01 -0.292717D+02 -0.215015D+02 -0.223381D+01 -0.117374D+02
      4   0.260821D+01  0.433857D+02 -0.124942D+02  0.156590D+02  0.683225D+01
      5   0.173202D+02  0.772397D+01  0.179671D+02  0.292696D+01  0.313420D+02
      6   0.272363D+01  0.231581D+01  0.406589D+01 -0.187681D+00  0.256745D+01
                71            72            73            74            75 
      1   0.261586D+01  0.329002D+02  0.508381D+02 -0.613396D+01 -0.792271D+01
      2   0.249930D+01 -0.759343D+01 -0.353058D+02 -0.809165D+01  0.136944D+00
      3  -0.511516D+01 -0.253067D+02 -0.155322D+02  0.142256D+02  0.778576D+01
      4   0.201331D+02  0.533106D+01 -0.300292D+01 -0.304489D+02 -0.753641D+01
      5   0.459231D+01 -0.530739D+02 -0.758756D+01 -0.511212D+01 -0.122177D+02
      6   0.331910D+01 -0.626518D+01 -0.673299D+01 -0.238715D+01 -0.860869D+01
                76            77            78            79            80 
      1  -0.120630D+02 -0.310799D+02  0.306952D+01 -0.116367D+02  0.226938D+01
      2  -0.614377D+01  0.119675D+02 -0.115964D+02 -0.136840D+01 -0.147294D+02
      3   0.182068D+02  0.191123D+02  0.852688D+01  0.130051D+02  0.124601D+02
      4  -0.353701D+02 -0.133347D+02 -0.206114D+02 -0.909852D+01 -0.287565D+02
      5  -0.632517D+01 -0.202764D+02 -0.876845D+01 -0.195350D+02 -0.139889D+02
      6  -0.523567D+01 -0.160932D+02 -0.467261D+01 -0.105172D+02 -0.870468D+01
                81            82            83            84            85 
      1  -0.806625D+01  0.557351D+02 -0.183727D+02 -0.527294D+01 -0.297233D+02
      2   0.778840D+01 -0.301055D+02  0.868581D+01  0.120155D+01  0.142040D+02
      3   0.277848D+00 -0.256296D+02  0.968689D+01  0.407139D+01  0.155193D+02
      4  -0.188237D+02 -0.210719D+02 -0.385568D+02 -0.558193D+01 -0.585761D+02
      5   0.386862D+02 -0.849727D+01 -0.607389D+01 -0.323270D+02 -0.104684D+02
      6   0.194542D+02 -0.163160D+01 -0.468676D+01 -0.198822D+01 -0.868964D+01
                86            87            88            89            90 
      1  -0.515424D+02 -0.666647D+01 -0.148886D+02 -0.595622D+01 -0.421721D+02
      2   0.250042D+02  0.259590D+01  0.384495D+01  0.205254D+01  0.234957D+02
      3   0.265382D+02  0.407056D+01  0.110436D+02  0.390368D+01  0.186764D+02
      4   0.218593D+02 -0.400688D+02 -0.950169D+01 -0.390988D+02 -0.479764D+01
      5  -0.429827D+02 -0.422679D+01 -0.502334D+02 -0.380130D+01  0.477010D+02
      6   0.409768D+00 -0.481062D+01 -0.311967D+01 -0.491403D+01  0.126562D+01
                91            92            93            94            95 
      1   0.147528D+02 -0.546355D+01 -0.193805D+01 -0.984772D+01 -0.177516D+02
      2  -0.973873D+01 -0.134957D+01 -0.871910D+00  0.356197D+01  0.788466D+01
      3  -0.501404D+01  0.681313D+01  0.280996D+01  0.628575D+01  0.986693D+01
      4  -0.202098D+02 -0.150922D+02 -0.709578D+01 -0.393809D+02  0.131487D+02
      5  -0.673408D+01 -0.627514D+01 -0.864635D+01 -0.119877D+02 -0.334719D+01
      6  -0.375220D+01 -0.203977D+01 -0.394790D+01 -0.229002D+01 -0.482583D+01
                96            97            98            99           100 
      1  -0.614495D+01 -0.149953D+02 -0.763549D+01 -0.204935D+01 -0.668490D+01
      2   0.165403D+00 -0.156890D+00 -0.129371D+01  0.734411D+01  0.164068D+01
      3   0.597955D+01  0.151522D+02  0.892920D+01 -0.529477D+01  0.504422D+01
      4  -0.297604D+01 -0.171155D+02 -0.143549D+02 -0.158652D+02  0.120917D+02
      5  -0.127399D+02 -0.153654D+02 -0.145782D+02  0.309466D+02 -0.161660D+02
      6  -0.259974D+01 -0.760036D+01 -0.308756D+01  0.866743D+01  0.514117D+01
               101           102           103           104           105 
      1   0.517781D+01 -0.820236D+01  0.182345D+02  0.455622D+01  0.913238D+01
      2  -0.111280D+00  0.568010D+01 -0.124290D+02 -0.464134D+00 -0.310079D+01
      3  -0.506653D+01  0.252226D+01 -0.580546D+01 -0.409209D+01 -0.603160D+01
      4  -0.209431D+01  0.644577D+01 -0.221809D+01 -0.123734D+02 -0.242256D+01
      5   0.566784D+01 -0.384795D+01  0.757773D+01 -0.243844D+01  0.224197D+02
      6  -0.530950D+01  0.614424D+01 -0.121984D+01 -0.149284D+01 -0.143486D+02
               106           107           108           109           110 
      1  -0.227048D+02  0.936566D+01 -0.544874D+01  0.441633D+02 -0.126835D+02
      2   0.910873D+01  0.130427D+01  0.333835D+01 -0.213080D+02  0.386136D+01
      3   0.135961D+02 -0.106699D+02  0.211040D+01 -0.228553D+02  0.882211D+01
      4   0.180002D+02 -0.157981D+02  0.185874D+02 -0.241859D+02  0.206697D+02
      5  -0.186279D+02  0.161265D+02 -0.254622D+02  0.311658D+02 -0.596842D+01
      6   0.103513D+02 -0.163778D+02  0.689043D+01 -0.108573D+02  0.394049D+01
               111           112           113           114           115 
      1   0.243314D+02 -0.151769D+02  0.381817D+01 -0.175628D+01  0.384977D+02
      2  -0.144027D+02  0.224475D+01  0.815468D+01 -0.132126D+01 -0.194365D+02
      3  -0.992870D+01  0.129322D+02 -0.119729D+02  0.307754D+01 -0.190612D+02
      4  -0.990058D+01  0.258195D+02 -0.234382D+02  0.180253D+02 -0.229259D+02
      5   0.231760D+02 -0.118715D+02  0.173431D+02 -0.193096D+02  0.352995D+02
      6  -0.779535D+01  0.592012D+01 -0.113906D+02  0.177421D+02 -0.107888D+02
               116           117           118           119           120 
      1  -0.324264D+01  0.111198D+02  0.313874D+00 -0.905695D+01 -0.125321D+02
      2  -0.353196D+01 -0.153180D+02 -0.330785D+01  0.116842D+02  0.775823D+01
      3   0.677460D+01  0.419825D+01  0.299398D+01 -0.262722D+01  0.477388D+01
      4   0.307277D+02 -0.176018D+02  0.152066D+01 -0.670240D+01  0.346004D+01
      5  -0.158969D+02  0.592915D+02 -0.812138D+01 -0.965290D+00  0.587715D+01
      6   0.156319D+02 -0.274845D+02  0.344811D+01  0.513265D+01  0.123347D+01
               121           122           123           124           125 
      1  -0.285885D+01 -0.728125D+01 -0.568754D+01 -0.119713D+02 -0.775718D+01
      2   0.111519D+02 -0.116715D+02  0.274563D+01  0.632390D+01  0.804633D+01
      3  -0.829303D+01  0.189527D+02  0.294192D+01  0.564740D+01 -0.289149D+00
      4  -0.872739D+01  0.361383D+02 -0.422384D+01  0.123892D+02 -0.180826D+02
      5   0.161314D+01 -0.344692D+01 -0.451645D+01  0.160004D+02 -0.161733D+02
      6   0.266685D+01  0.264368D+01  0.104338D+02 -0.571233D+01  0.195548D+02
               126           127           128           129           130 
      1  -0.944959D+01 -0.819436D+00 -0.238628D+00  0.324236D+01 -0.301845D+01
      2  -0.621549D+01 -0.530386D+01 -0.117546D+01  0.520087D+01 -0.660962D+00
      3   0.156651D+02  0.612329D+01  0.141409D+01 -0.844323D+01  0.367941D+01
      4  -0.143760D+02  0.714911D+00  0.211439D+01 -0.865787D+00  0.124710D+01
      5  -0.318796D+02 -0.914467D+01 -0.259865D+01  0.116061D+02 -0.294834D+01
      6   0.215098D+02  0.947666D-01 -0.183538D+01 -0.448744D+00 -0.136384D+01
               131           132           133           134           135 
      1  -0.384720D+01  0.777455D+01  0.355109D+01  0.464690D+01 -0.244923D+02
      2  -0.678315D+00  0.297558D+01  0.644443D+01  0.192420D+01 -0.143873D+02
      3   0.452552D+01 -0.107501D+02 -0.999551D+01 -0.657110D+01  0.388796D+02
      4   0.101165D+01 -0.156123D+01 -0.217758D+01 -0.348192D+01  0.191769D+01
      5  -0.294403D+01  0.434241D+01  0.116309D+02  0.399169D+01 -0.186935D+02
      6  -0.337489D+01  0.273944D+01  0.100060D+01  0.574606D+01 -0.254275D+01
               136           137           138           139           140 
      1   0.404340D+01 -0.374543D+00 -0.135274D+01 -0.235543D+00 -0.190476D+01
      2  -0.597031D+01  0.951868D+00 -0.426716D+01  0.210397D+01 -0.539036D+00
      3   0.192691D+01 -0.577325D+00  0.561990D+01 -0.186843D+01  0.244379D+01
      4  -0.303215D+01  0.386562D+01 -0.120692D+01  0.251736D+01 -0.303221D+01
      5   0.117873D+02 -0.302993D+01  0.996088D+01 -0.452556D+01  0.343568D+01
      6  -0.528681D+00  0.192776D+01 -0.709502D+00  0.898708D+00 -0.302947D+01
               141           142           143           144           145 
      1   0.493111D+01 -0.354152D+01  0.418527D+01 -0.124419D+02 -0.279250D+01
      2   0.197239D+01 -0.539648D+01  0.100940D+01 -0.846201D+01 -0.274411D+01
      3  -0.690350D+01  0.893800D+01 -0.519467D+01  0.209039D+02  0.553661D+01
      4   0.156153D+01 -0.157203D+01  0.303619D+01 -0.263780D+01  0.537861D+01
      5  -0.549884D+01  0.123772D+02 -0.434531D+01  0.159210D+02 -0.921473D+01
      6   0.232071D+01 -0.177568D+01  0.476578D+01 -0.339608D+01 -0.576783D+01
               146           147           148           149           150 
      1  -0.182589D+01  0.534379D+01 -0.303089D+01 -0.543864D+01  0.938974D+01
      2   0.466643D+00  0.286247D+01 -0.255401D+00  0.137507D+01 -0.604407D-01
      3   0.135924D+01 -0.820626D+01  0.328629D+01  0.406356D+01 -0.932929D+01
      4   0.367719D+01 -0.535985D+01  0.252724D+01  0.217481D+01 -0.312986D+01
      5  -0.353643D+01  0.119034D+02 -0.335992D+01 -0.308886D+01  0.442922D+01
      6  -0.357171D+01  0.602964D+01 -0.326023D+01 -0.617980D+01  0.942889D+01
               151           152           153           154           155 
      1   0.763592D+01  0.109157D+02 -0.300160D+02  0.253002D+01  0.244417D+01
      2   0.225397D+01 -0.309242D+01 -0.615326D+01 -0.324806D+01 -0.243982D+01
      3  -0.988989D+01 -0.782329D+01  0.361692D+02  0.718037D+00 -0.435233D-02
      4  -0.578233D+01 -0.512212D+01  0.790062D+01 -0.107333D+02  0.734654D+01
      5   0.111254D+02  0.528995D+01 -0.180298D+02  0.156219D+02 -0.588289D+01
      6   0.829531D+01  0.127202D+02 -0.233295D+02 -0.901930D+01  0.580469D+01
               156           157           158           159           160 
      1  -0.181309D+01  0.746769D+00 -0.400803D+01  0.573061D+01 -0.400296D+01
      2  -0.239003D+01  0.531070D+00  0.216647D+01 -0.507055D+00 -0.269848D+01
      3   0.420312D+01 -0.127784D+01  0.184156D+01 -0.522355D+01  0.670144D+01
      4  -0.823649D+01  0.529602D+01 -0.569239D+01  0.590952D+01 -0.871760D+01
      5   0.136930D+02 -0.677043D+01  0.526145D+01 -0.790805D+01  0.150617D+02
      6  -0.848657D+01  0.537089D+01 -0.657032D+01  0.868161D+01 -0.101491D+02
               161           162           163           164           165 
      1   0.831533D+01 -0.157847D+02  0.618049D+01  0.284416D+00 -0.782969D+01
      2  -0.385262D+01 -0.283083D+01 -0.733159D+01 -0.637032D+00  0.650772D+01
      3  -0.446271D+01  0.186155D+02  0.115110D+01  0.352617D+00  0.132197D+01
      4   0.723483D+01 -0.106017D+02 -0.187450D+01  0.664409D+01  0.396263D+01
      5  -0.756424D+01  0.203167D+02 -0.139001D+02  0.243515D+01  0.142445D+02
      6   0.115754D+02 -0.183484D+02  0.232204D+01 -0.129009D+01 -0.222301D+01
               166           167           168           169           170 
      1   0.768422D+01  0.188229D+01 -0.172817D+01 -0.140391D+02 -0.312594D+01
      2  -0.490511D+01 -0.923757D+00  0.135176D+01  0.130253D+02  0.496002D+00
      3  -0.277911D+01 -0.958536D+00  0.376409D+00  0.101372D+01  0.262993D+01
      4   0.768249D+01 -0.421733D+01 -0.513612D+01  0.537552D+01 -0.801207D+01
      5  -0.293451D+00 -0.541388D+01  0.353577D+00  0.216475D+02 -0.777097D+01
      6  -0.167528D+01  0.170648D+01  0.531282D+01 -0.497294D+01  0.635389D+01
               171           172           173           174           175 
      1  -0.579895D+01  0.208380D+02 -0.889014D+01  0.391893D+01 -0.134633D+02
      2  -0.135691D+02 -0.382620D+01 -0.515393D+00 -0.895441D+00 -0.308447D+01
      3   0.193681D+02 -0.170118D+02  0.940553D+01 -0.302348D+01  0.165477D+02
      4  -0.106015D+02 -0.215577D+02  0.229441D+02 -0.175028D+01  0.339314D+02
      5  -0.443847D+02  0.471984D+01 -0.481567D+00  0.483338D+01 -0.868869D+00
      6   0.121667D+02 -0.109650D+01 -0.195614D+00 -0.126669D+01  0.309533D+00
               176           177           178           179           180 
      1  -0.306330D+00  0.596469D+00  0.180141D+02  0.155798D+01  0.168768D+01
      2   0.215946D+02 -0.269761D+01 -0.544896D+01 -0.483477D+01 -0.986555D-02
      3  -0.212883D+02  0.210114D+01 -0.125651D+02  0.327679D+01 -0.167782D+01
      4  -0.519765D+02  0.613545D+01 -0.819485D+01  0.144865D+02 -0.902079D+01
      5   0.549245D+01 -0.564283D+01  0.882379D+01 -0.780550D+01  0.222633D+01
      6  -0.117053D+01  0.447060D+01 -0.339195D+01  0.556978D+01 -0.208322D+01
               181           182           183           184           185 
      1  -0.116216D+01 -0.248350D+01  0.124962D+02 -0.747038D+01 -0.113983D+02
      2  -0.343561D+01  0.318420D+00 -0.386560D+01  0.297479D+01  0.483043D+01
      3   0.459778D+01  0.216508D+01 -0.863060D+01  0.449559D+01  0.656789D+01
      4  -0.411545D+01 -0.390686D+01  0.131427D+00 -0.364021D+01  0.108103D+01
      5   0.848150D+01 -0.256637D+00 -0.184289D+01  0.906977D+00  0.537190D+01
      6   0.154597D+01 -0.256266D-01 -0.130286D+01 -0.322433D+00  0.347668D+00
               186           187           188           189           190 
      1  -0.523467D+00  0.199503D+02 -0.505659D+00 -0.236624D+02 -0.554372D+02
      2   0.106635D+01 -0.858977D+01  0.118601D+01 -0.902583D+01  0.321234D+02
      3  -0.542886D+00 -0.113605D+02 -0.680348D+00  0.326882D+02  0.233138D+02
      4   0.494691D+01  0.136470D+01  0.600758D+01 -0.213572D+01 -0.173233D+02
      5  -0.618279D+00 -0.286912D+00 -0.689625D+00  0.514311D+02  0.340501D+01
      6   0.633628D+01 -0.217983D+00  0.355505D+01  0.656317D+01  0.263020D+01
               191           192           193           194           195 
      1   0.143127D+02  0.265407D+01  0.726811D+01 -0.109569D+02 -0.866895D+00
      2  -0.142706D+02 -0.109361D+01 -0.811039D+01  0.989474D+01  0.183709D+01
      3  -0.420760D-01 -0.156046D+01  0.842284D+00  0.106218D+01 -0.970195D+00
      4  -0.357788D+01  0.243799D+01  0.901615D+00 -0.722251D+00  0.228982D+01
      5   0.102623D+01 -0.162522D+01  0.147488D+00  0.282151D+01  0.815569D+00
      6   0.388538D+00 -0.344989D+01  0.613117D+00  0.155159D+01  0.199913D+01
               196           197           198           199           200 
      1   0.417158D+01 -0.245584D+01 -0.608915D+01  0.199259D+01  0.221909D+01
      2  -0.146135D+01  0.335915D+01  0.258492D+01 -0.163173D+01  0.130908D+01
      3  -0.271023D+01 -0.903312D+00  0.350423D+01 -0.360858D+00 -0.352818D+01
      4   0.171866D+01  0.417618D+01  0.157580D+01  0.616424D+01  0.953106D+01
      5   0.455875D+00  0.286807D+01 -0.283851D+01 -0.105409D+02 -0.343791D+01
      6  -0.263029D+01  0.356720D+01 -0.961554D+00 -0.430311D+01 -0.189841D+01
               201           202           203           204           205 
      1  -0.753606D+01 -0.291351D+00 -0.716054D-01  0.309443D+01 -0.108643D+02
      2   0.554049D+01  0.224451D+01  0.150765D+01 -0.320941D+01  0.777666D+01
      3   0.199557D+01 -0.195316D+01 -0.143604D+01  0.114980D+00  0.308764D+01
      4  -0.559823D+01  0.687751D+01  0.734726D+01 -0.619859D+01 -0.845170D+01
      5   0.133532D+02 -0.998235D+00 -0.657150D+01  0.432545D+01  0.156424D+02
      6   0.507915D+01 -0.172275D+01 -0.419899D+01  0.803718D+01  0.718574D+01
               206           207           208           209           210 
      1   0.572795D+01 -0.707353D+01  0.141343D+02  0.106176D+02  0.605940D+01
      2  -0.536069D+01 -0.838193D+01  0.206866D+01  0.686419D+01 -0.541216D+00
      3  -0.367266D+00  0.154555D+02 -0.162030D+02 -0.174818D+02 -0.551818D+01
      4  -0.133786D+02  0.166231D+02  0.276792D+02  0.333568D+02  0.847478D+01
      5   0.144013D+02 -0.497044D+02  0.829194D+01  0.574552D+01  0.874968D+01
      6   0.127043D+02 -0.285765D+02  0.537308D+01  0.434532D+01  0.596160D+01
               211           212           213           214           215 
      1   0.929890D+01 -0.210176D+01 -0.102851D+01  0.949437D+01 -0.223689D+01
      2   0.858930D+01  0.313857D+02  0.810047D+01 -0.593917D+00  0.120874D+02
      3  -0.178882D+02 -0.292840D+02 -0.707196D+01 -0.890046D+01 -0.985056D+01
      4   0.341028D+02  0.577307D+02  0.160236D+02  0.151836D+02  0.260542D+02
      5   0.683825D+01  0.143339D+02  0.104843D+02  0.116093D+02  0.144292D+02
      6   0.573840D+01  0.127262D+02  0.982931D+01  0.781700D+01  0.126415D+02
               216           217           218           219           220 
      1   0.150794D+01  0.268064D+02  0.136591D+01 -0.210909D+02  0.392698D+01
      2   0.257771D+01 -0.158222D+02 -0.547640D+00  0.122295D+02 -0.169182D+01
      3  -0.408566D+01 -0.109842D+02 -0.818274D+00  0.886139D+01 -0.223516D+01
      4   0.164679D+02  0.224807D+01  0.824234D+01  0.283278D+00  0.152798D+02
      5   0.964928D+01 -0.226661D+02  0.727681D+00  0.237298D+02  0.291064D+00
      6   0.841609D+01 -0.447555D+00  0.878999D-01  0.426113D+00 -0.100500D+01
               221           222           223           224           225 
      1   0.109430D+02  0.809513D+00 -0.461796D+02  0.194012D+01  0.283998D+02
      2  -0.557176D+01 -0.755611D+00  0.274448D+02 -0.154431D+01 -0.235461D+02
      3  -0.537122D+01 -0.539019D-01  0.187348D+02 -0.395813D+00 -0.485370D+01
      4  -0.168207D+01 -0.613844D+01  0.354652D+00 -0.104621D+02  0.914245D+00
      5  -0.599775D+01  0.114323D+01  0.424874D+02  0.672119D-02 -0.706801D+02
      6  -0.564166D+00  0.414968D+01  0.150171D+01  0.413371D+01 -0.199472D+01
               226           227           228           229           230 
      1   0.252664D+02 -0.217061D+02  0.106798D+02 -0.415820D+02  0.292483D+02
      2  -0.120382D+02  0.102117D+02 -0.560424D+01  0.199084D+02 -0.896670D+01
      3  -0.132282D+02  0.114944D+02 -0.507560D+01  0.216736D+02 -0.202816D+02
      4  -0.226508D+02  0.240693D+02 -0.682515D+01  0.405646D+02 -0.650981D+02
      5   0.123368D+02 -0.755199D+01  0.112576D+02 -0.132366D+02  0.231093D+02
      6  -0.246473D+01  0.192816D+01 -0.991299D+00  0.411617D+01 -0.695678D+01
               231           232           233           234           235 
      1  -0.793148D+01  0.196604D+02 -0.691229D+01  0.134281D+02  0.600001D+02
      2   0.466812D+01 -0.109454D+02  0.435828D+01 -0.938345D+01 -0.290830D+02
      3   0.326336D+01 -0.871509D+01  0.255401D+01 -0.404466D+01 -0.309170D+02
      4   0.217565D+02 -0.107754D+02  0.229156D+02 -0.150469D+02  0.338495D+02
      5  -0.180378D+02  0.206317D+02 -0.162163D+02  0.135382D+02  0.249538D+02
      6   0.565034D+01 -0.231516D+01  0.591180D+01 -0.410298D+01  0.508034D+01
               236           237           238           239           240 
      1   0.283482D+02  0.201698D+02  0.534990D+02  0.296222D+02  0.125170D+02
      2  -0.127220D+02 -0.107348D+02 -0.237413D+02 -0.883855D+01 -0.619530D+01
      3  -0.156261D+02 -0.943495D+01 -0.297577D+02 -0.207836D+02 -0.632170D+01
      4   0.267617D+02  0.113715D+02  0.447611D+02  0.424513D+02  0.214602D+02
      5   0.117091D+02  0.193965D+02  0.202825D+02  0.220631D+02  0.196608D+02
      6   0.300106D+01  0.280295D+01  0.639110D+01  0.693458D+01  0.619214D+01
               241           242           243           244           245 
      1   0.346912D+02  0.107079D+02  0.209589D+02  0.516939D+00  0.321368D+01
      2  -0.188856D+02 -0.532498D+01 -0.136741D+02 -0.407073D+01 -0.145946D+01
      3  -0.158055D+02 -0.538290D+01 -0.728485D+01  0.355379D+01 -0.175422D+01
      4   0.175805D+02  0.225062D+02  0.164473D+02  0.603135D+01  0.562628D+01
      5   0.320600D+02  0.169264D+02  0.211943D+02 -0.128896D+02 -0.168043D+01
      6   0.549062D+01  0.627169D+01  0.577682D+01 -0.381078D+01 -0.530229D+00
               246           247           248           249           250 
      1  -0.727386D+01  0.390408D+01  0.509861D+00  0.194391D+01 -0.859040D+01
      2   0.557078D+01 -0.155421D+01 -0.305161D+00 -0.543263D+00  0.866650D+01
      3   0.170307D+01 -0.234987D+01 -0.204700D+00 -0.140065D+01 -0.761039D-01
      4  -0.284006D+01  0.951728D+01  0.461929D+01 -0.743996D+01 -0.413375D+01
      5   0.124952D+02 -0.235428D+01 -0.754067D+01  0.872293D+01  0.174224D+02
      6   0.218442D+01 -0.182653D+01 -0.400449D+01  0.678423D+01  0.318954D+01
               251           252           253           254           255 
      1   0.231861D+01 -0.549990D+01 -0.830646D+02 -0.125981D+02  0.861359D+01
      2   0.375070D+00 -0.130018D+02  0.414254D+02  0.161937D+02 -0.544189D+01
      3  -0.269368D+01  0.185017D+02  0.416392D+02 -0.359558D+01 -0.317170D+01
      4  -0.100811D+02  0.898916D+01 -0.192766D+02  0.233958D+02  0.786931D+01
      5   0.755166D+01 -0.422544D+02  0.103411D+02  0.437032D+01  0.937823D+01
      6   0.610339D+01 -0.117486D+02  0.798119D+01  0.382939D+01  0.377727D+01
               256           257           258           259           260 
      1   0.891323D+01  0.361342D+02 -0.134330D+00  0.253329D+02  0.126825D+01
      2   0.346739D+01 -0.363892D+02  0.764253D+00 -0.900212D+01  0.439489D+01
      3  -0.123806D+02  0.255039D+00 -0.629923D+00 -0.163308D+02 -0.566314D+01
      4   0.330385D+02 -0.148634D+02  0.118352D+02  0.199807D+02  0.195264D+02
      5   0.101356D+02  0.148211D+02  0.121102D+02  0.149672D+02  0.110582D+02
      6   0.666065D+01  0.473499D+01  0.643474D+01  0.749265D+01  0.694773D+01
               261           262           263           264           265 
      1   0.133546D+02  0.414159D+01 -0.637786D+01 -0.127545D+01 -0.464284D+01
      2   0.596473D+01  0.304045D+01 -0.302136D+01 -0.254020D+00 -0.699840D+01
      3  -0.193194D+02 -0.718204D+01  0.939923D+01  0.152947D+01  0.116412D+02
      4   0.147336D+02 -0.128005D+02  0.188337D+02  0.364107D+01  0.235222D+02
      5  -0.272961D+02 -0.442087D+01  0.489396D+01  0.334179D+01  0.599622D+01
      6  -0.895404D+01  0.310216D+01 -0.383218D+01 -0.151193D+01 -0.498543D+01
               266           267           268           269           270 
      1  -0.100168D+02 -0.277425D+01  0.793545D+00 -0.251667D+00 -0.143928D+01
      2   0.353989D+02  0.448640D+01  0.230647D+01 -0.678534D+01  0.169129D+01
      3  -0.253822D+02 -0.171216D+01 -0.310002D+01  0.703701D+01 -0.252014D+00
      4  -0.584605D+02 -0.107700D+02 -0.438557D+01  0.101129D+02 -0.335057D+01
      5  -0.128460D+02 -0.996776D+01  0.182218D+01 -0.306466D+01 -0.252331D+01
      6   0.155087D+02  0.764070D+01 -0.100789D+01  0.334390D+01  0.164279D+01
               271           272           273           274           275 
      1   0.128087D+03  0.137360D+02 -0.437494D+01 -0.162578D+01  0.833449D+01
      2  -0.598231D+02 -0.265916D+01  0.176622D+01  0.456441D+01 -0.506452D+00
      3  -0.682638D+02 -0.110768D+02  0.260872D+01 -0.293863D+01 -0.782804D+01
      4   0.487409D+02  0.198548D+02 -0.437443D-01  0.148141D+02  0.704462D+01
      5   0.370210D+01  0.141481D+01  0.125980D+02 -0.877473D+00 -0.200045D+01
      6  -0.102561D+01  0.124585D+01  0.397970D+01  0.129757D+00 -0.430641D+00
               276           277           278           279           280 
      1   0.238693D+00 -0.156829D+02 -0.153412D+01  0.104223D+02 -0.876995D+00
      2  -0.486834D+00  0.627369D+01 -0.859700D+00 -0.717870D+01  0.463732D+01
      3   0.248141D+00  0.940918D+01  0.239382D+01 -0.324356D+01 -0.376032D+01
      4  -0.229225D+01 -0.778718D+01 -0.568156D+01  0.288501D+01  0.446906D+01
      5  -0.129967D+01  0.145111D+02  0.635447D+00 -0.495663D+00 -0.267171D+01
      6   0.756462D-02  0.419376D+01  0.840979D+00 -0.229693D+00 -0.919892D+00
               281           282           283           284           285 
      1   0.155747D+02 -0.157448D+01  0.108181D+02 -0.339534D+02  0.821443D-01
      2  -0.159166D+02  0.113644D+01 -0.509018D+01  0.548300D+02 -0.119056D+01
      3   0.341875D+00  0.438039D+00 -0.572792D+01 -0.208765D+02  0.110842D+01
      4  -0.683522D+01 -0.185948D+01  0.840368D+01  0.521458D+02 -0.697397D+00
      5   0.185066D+00 -0.278018D+01  0.120738D+01 -0.340222D+01  0.570671D+01
      6  -0.140043D+01 -0.251872D+01 -0.427418D-01  0.397791D+01  0.649244D+01
               286           287           288           289           290 
      1  -0.550115D+01  0.197461D+01 -0.659096D+01  0.652770D+01  0.123511D+01
      2   0.209115D+01 -0.567209D+01  0.541424D+01 -0.640223D+01 -0.225629D+01
      3   0.341000D+01  0.369748D+01  0.117673D+01 -0.125472D+00  0.102119D+01
      4  -0.431422D+01 -0.858138D+01  0.425614D+01  0.299368D+00 -0.303835D+01
      5  -0.415834D+00  0.574800D+01  0.251252D+00  0.477337D+01 -0.850682D+00
      6  -0.812445D+00  0.706005D+01 -0.533336D+00  0.832831D+00 -0.132842D+01
               291           292           293           294           295 
      1   0.656342D+01 -0.512718D+01 -0.645544D+01 -0.739677D+00  0.104796D+02
      2  -0.278678D+01  0.164289D+01  0.319164D+01  0.311446D+01 -0.650504D+01
      3  -0.377665D+01  0.348429D+01  0.326380D+01 -0.237478D+01 -0.397452D+01
      4   0.851767D+00 -0.374007D+01 -0.326758D+01  0.312856D+01  0.587743D+01
      5   0.127249D+01 -0.207919D+01  0.289865D+01 -0.473291D+01  0.104538D+02
      6  -0.932739D+00 -0.706901D+00  0.330960D+00  0.182977D+01  0.233920D+01
               296           297 
      1  -0.126070D+01 -0.119762D+02
      2   0.326560D+01 -0.133796D+02
      3  -0.200489D+01  0.253558D+02
      4   0.931836D+01  0.809121D+00
      5   0.196186D+01  0.452045D+02
      6   0.498477D+01  0.180860D+02
 Leave Link  716 at Mon Sep 27 10:54:19 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217001D+03 -0.128859D+01  0.207567D+01
      2  -0.128859D+01  0.136384D+03 -0.770739D+01
      3   0.207567D+01 -0.770739D+01  0.147842D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.796631D+01 -0.786363D+01  0.227894D+02
      2  -0.107083D-01 -0.577364D+01  0.356136D+02
      3  -0.981180D+02 -0.427915D+02  0.110598D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.242104D+03  0.390145D+02 -0.219279D+02
      2  -0.128480D+03 -0.240822D+02  0.410217D+02
      3  -0.113624D+03 -0.149323D+02 -0.190938D+02
      4  -0.402828D+02  0.783302D+02 -0.127676D+02
      5  -0.248200D+02 -0.183011D+02  0.739725D+02
      6   0.920129D+00  0.214892D+02 -0.342280D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110117D+02 -0.147580D+00  0.785450D+00  0.548911D+01  0.202174D+01
      2  -0.147580D+00  0.106712D+01  0.119317D+00  0.202174D+01  0.190988D+01
      3   0.785450D+00  0.119317D+00  0.869584D+00 -0.981090D-01 -0.258387D+01
                 6             7             8             9            10 
      1  -0.981090D-01 -0.916089D+01  0.290151D+00 -0.291757D+00  0.287139D+02
      2  -0.258387D+01  0.290151D+00 -0.115742D+01 -0.106645D+01  0.154355D+01
      3  -0.225249D+01 -0.291757D+00 -0.106645D+01 -0.173512D+01 -0.102317D+01
                11            12            13            14            15 
      1   0.154355D+01 -0.102317D+01 -0.672353D+00  0.426325D+01  0.122470D+01
      2   0.201193D+01 -0.609208D+00  0.426325D+01 -0.790468D+00 -0.142255D+00
      3  -0.609208D+00  0.268762D+01  0.122470D+01 -0.142255D+00 -0.660491D+00
                16            17            18            19            20 
      1  -0.357930D+01  0.139664D+01  0.102378D+01  0.799715D+01 -0.478397D-01
      2   0.139664D+01  0.240028D+00 -0.731504D+00 -0.478397D-01 -0.948069D+00
      3   0.102378D+01 -0.731504D+00 -0.279382D+00 -0.591339D+00 -0.410920D+00
                21            22            23            24            25 
      1  -0.591339D+00  0.353334D+01 -0.141712D+01 -0.104867D+01 -0.121217D+02
      2  -0.410920D+00 -0.141712D+01  0.241886D+01 -0.210125D+01 -0.295584D+00
      3  -0.249147D+01 -0.104867D+01 -0.210125D+01 -0.101615D+01  0.442122D+00
                26            27            28            29            30 
      1  -0.295584D+00  0.442122D+00 -0.253728D+02 -0.782563D+00  0.942595D+00
      2  -0.924400D+00 -0.737647D+00 -0.782563D+00 -0.152515D+01  0.116170D+00
      3  -0.737647D+00 -0.155631D+01  0.942595D+00  0.116170D+00 -0.252202D+01
                31            32            33            34            35 
      1   0.239218D+01 -0.471065D+01 -0.135876D+01  0.263122D+01 -0.114864D+01
      2  -0.471065D+01  0.561262D+00  0.339450D+00 -0.114864D+01  0.403511D-01
      3  -0.135876D+01  0.339450D+00 -0.115677D+00 -0.770997D+00 -0.802697D+00
                36            37            38            39            40 
      1  -0.770997D+00  0.119099D+02 -0.275760D+00 -0.678857D+00 -0.367364D+01
      2  -0.802697D+00 -0.275760D+00 -0.193189D+01  0.117795D+01 -0.162381D+01
      3   0.875128D+00 -0.678857D+00  0.117795D+01 -0.156992D+01 -0.156546D+00
                41            42            43            44            45 
      1  -0.162381D+01 -0.156546D+00  0.996273D+01 -0.150184D+01  0.437168D+00
      2  -0.247204D+01  0.234373D+01 -0.150184D+01  0.114247D+01  0.135143D+01
      3   0.234373D+01  0.207269D+01  0.437168D+00  0.135143D+01  0.136370D+01
                46            47            48            49            50 
      1  -0.892719D+01  0.346411D+00  0.271452D+00 -0.262056D+01  0.105248D+01
      2   0.346411D+00  0.146048D+01 -0.572486D+00  0.105248D+01 -0.330777D+01
      3   0.271452D+00 -0.572486D+00  0.277258D+01  0.137927D+01  0.193257D+01
                51            52            53            54            55 
      1   0.137927D+01  0.118221D+02  0.130533D+01 -0.924154D+00 -0.142584D+02
      2   0.193257D+01  0.130533D+01  0.541027D-02  0.140508D+01 -0.214461D+01
      3   0.100642D+01 -0.924154D+00  0.140508D+01  0.663652D+00 -0.510467D+00
                56            57            58            59            60 
      1  -0.214461D+01 -0.510467D+00 -0.560506D+01 -0.721784D+01 -0.668202D+00
      2  -0.342397D+01 -0.156619D+00 -0.721784D+01  0.227632D+01 -0.170563D+01
      3  -0.156619D+00 -0.134474D+01 -0.668202D+00 -0.170563D+01  0.236291D-01
                61            62            63            64            65 
      1  -0.542352D+01 -0.127890D+01 -0.301874D+01 -0.129886D+01  0.302335D+01
      2  -0.127890D+01 -0.298597D+01  0.458944D+00  0.302335D+01  0.365201D+01
      3  -0.301874D+01  0.458944D+00  0.508614D+01  0.140040D+00  0.385574D+00
                66            67            68            69            70 
      1   0.140040D+00  0.105037D+02  0.624387D+01  0.853808D+00  0.555880D+01
      2   0.385574D+00  0.624387D+01 -0.146774D+01  0.212053D+01  0.140356D+01
      3   0.233158D+01  0.853808D+00  0.212053D+01  0.572871D+00  0.352640D+01
                71            72            73            74            75 
      1   0.140356D+01  0.352640D+01  0.601049D+01 -0.248459D+01 -0.119305D+01
      2   0.300718D+01  0.655542D+00 -0.248459D+01 -0.358059D+01 -0.613703D+00
      3   0.655542D+00 -0.693713D+01 -0.119305D+01 -0.613703D+00 -0.178070D+01
                76            77            78            79            80 
      1  -0.378575D+01 -0.391304D+01 -0.898779D+00 -0.211747D+01 -0.970884D+00
      2  -0.391304D+01 -0.248606D+00 -0.281879D+01 -0.970884D+00 -0.382706D+01
      3  -0.898779D+00 -0.281879D+01 -0.120562D+01 -0.254782D+01 -0.186699D+01
                81            82            83            84            85 
      1  -0.254782D+01  0.505170D+01 -0.182801D+01 -0.584139D+00 -0.355462D+01
      2  -0.186699D+01 -0.182801D+01 -0.348362D+01 -0.489413D+00 -0.536124D+01
      3   0.517132D+01 -0.584139D+00 -0.489413D+00 -0.288376D+01 -0.859803D+00
                86            87            88            89            90 
      1  -0.536124D+01 -0.859803D+00 -0.186517D+01 -0.862986D+00 -0.431150D+01
      2   0.210353D+01 -0.363556D+01 -0.862986D+00 -0.371164D+01 -0.311719D+00
      3  -0.363556D+01 -0.467758D+00 -0.431150D+01 -0.311719D+00  0.433737D+01
                91            92            93            94            95 
      1   0.327264D+01  0.265507D+01  0.395801D+00  0.141950D-01  0.554336D+01
      2   0.265507D+01  0.188016D+01  0.867434D+00  0.554336D+01 -0.294470D+01
      3   0.395801D+00  0.867434D+00  0.138484D+01  0.165717D+01  0.197044D+00
                96            97            98            99           100 
      1   0.165717D+01  0.350124D+01  0.156631D+01  0.196006D+01  0.260902D+01
      2   0.197044D+00  0.156631D+01  0.195869D+01  0.189709D+01 -0.141333D+01
      3   0.144084D+01  0.196006D+01  0.189709D+01 -0.428419D+01  0.155791D+01
               101           102           103           104           105 
      1  -0.141333D+01  0.155791D+01 -0.161957D+01 -0.646068D+00 -0.134156D+01
      2   0.144497D+00 -0.748142D+00 -0.646068D+00  0.280217D+01  0.708987D-01
      3  -0.748142D+00  0.429493D+00 -0.134156D+01  0.708987D-01 -0.159682D+01
               106           107           108           109           110 
      1   0.233979D+01 -0.211347D+01  0.112815D+01 -0.520773D+01  0.195345D+01
      2  -0.211347D+01  0.151277D+01 -0.200278D+01  0.195345D+01 -0.151451D+01
      3   0.112815D+01 -0.200278D+01  0.312120D+01 -0.341109D+01  0.618035D+00
               111           112           113           114           115 
      1  -0.341109D+01  0.279217D+01 -0.235775D+01  0.122901D+01 -0.707907D+01
      2   0.618035D+00 -0.235775D+01  0.259986D+01 -0.221981D+01  0.260883D+01
      3  -0.191454D+01  0.122901D+01 -0.221981D+01  0.203202D+01 -0.308560D+01
               116           117           118           119           120 
      1   0.260883D+01 -0.308560D+01  0.874758D+00 -0.781882D-01  0.119345D+01
      2  -0.404578D+01  0.185061D+01 -0.781882D-01  0.209224D+01  0.393095D+00
      3   0.185061D+01 -0.743599D+01  0.119345D+01  0.393095D+00  0.282034D+00
               121           122           123           124           125 
      1  -0.177158D+00  0.198905D+01  0.195572D+00  0.301562D+01 -0.110029D+01
      2   0.198905D+01 -0.486490D+01  0.894190D+00 -0.110029D+01  0.287479D+01
      3   0.195572D+00  0.894190D+00  0.237680D+00 -0.824857D+00  0.235440D+01
               126           127           128           129           130 
      1  -0.824857D+00  0.204433D+01  0.579256D+00 -0.199160D+01  0.258983D+00
      2   0.235440D+01  0.579256D+00  0.301999D+00 -0.414413D+00  0.158058D+00
      3   0.436853D+01 -0.199160D+01 -0.414413D+00  0.201176D+01 -0.714202D+00
               131           132           133           134           135 
      1   0.158058D+00 -0.714202D+00 -0.232811D+01 -0.948558D+00  0.258957D+01
      2   0.483330D+00 -0.731275D+00 -0.948558D+00 -0.133059D+01  0.165657D+01
      3  -0.731275D+00  0.224401D+01  0.258957D+01  0.165657D+01 -0.717430D+01
               136           137           138           139           140 
      1  -0.391031D+01  0.112418D+01 -0.196916D+01  0.163632D+01 -0.562509D+00
      2   0.112418D+01 -0.782106D+00  0.560393D+00 -0.562509D+00  0.609398D+00
      3  -0.196916D+01  0.560393D+00 -0.172738D+01  0.106193D+01 -0.616692D+00
               141           142           143           144           145 
      1   0.106193D+01 -0.238546D+01  0.838898D+00 -0.248821D+01 -0.216874D+01
      2  -0.616692D+00  0.838898D+00 -0.123129D+01  0.142758D+01 -0.672128D+00
      3   0.168580D+01 -0.248821D+01  0.142758D+01 -0.451239D+01  0.209492D+01
               146           147           148           149           150 
      1  -0.672128D+00  0.209492D+01 -0.503411D+00 -0.231297D+00  0.750080D+00
      2  -0.411528D+00  0.628970D+00 -0.231297D+00 -0.705570D+00  0.943348D+00
      3   0.628970D+00 -0.215857D+01  0.750080D+00  0.943348D+00 -0.240181D+01
               151           152           153           154           155 
      1   0.207546D+01  0.101850D+01 -0.268058D+01  0.374553D+01 -0.114873D+01
      2   0.101850D+01  0.164965D+01 -0.238161D+01 -0.114873D+01  0.965704D+00
      3  -0.268058D+01 -0.238161D+01  0.748956D+01  0.256653D+01 -0.105549D+01
               156           157           158           159           160 
      1   0.256653D+01 -0.168445D+01  0.731112D+00 -0.133439D+01  0.271149D+01
      2  -0.105549D+01  0.731112D+00 -0.906297D+00  0.974043D+00 -0.123425D+01
      3   0.226312D+01 -0.133439D+01  0.974043D+00 -0.201164D+01  0.288231D+01
               161           162           163           164           165 
      1  -0.123425D+01  0.288231D+01  0.932439D+00 -0.389111D-01 -0.156833D+01
      2   0.168217D+01 -0.211742D+01 -0.389111D-01  0.717978D+00  0.268680D+00
      3  -0.211742D+01  0.513493D+01 -0.156833D+01  0.268680D+00  0.130897D+01
               166           167           168           169           170 
      1   0.147522D+01  0.119224D+01 -0.108676D-01 -0.346408D+01  0.104796D+00
      2   0.119224D+01 -0.446384D+00 -0.791290D+00  0.104796D+00 -0.110261D+01
      3  -0.108676D-01 -0.791290D+00 -0.144558D-01  0.234768D+01 -0.113367D+01
               171           172           173           174           175 
      1   0.234768D+01  0.409650D+01 -0.191401D+01  0.657529D+00 -0.388448D+01
      2  -0.113367D+01 -0.191401D+01  0.223129D+01 -0.732090D-01  0.337646D+01
      3  -0.624078D+01  0.657529D+00 -0.732090D-01  0.405922D+00 -0.164187D+00
               176           177           178           179           180 
      1   0.337646D+01 -0.164187D+00  0.432900D+01 -0.362310D+00  0.107199D+01
      2  -0.671082D+01  0.829855D+00 -0.362310D+00  0.191213D+01 -0.108972D+01
      3   0.829855D+00 -0.740833D+00  0.107199D+01 -0.108972D+01  0.287955D+00
               181           182           183           184           185 
      1  -0.354888D+00 -0.638877D+00  0.140973D+01 -0.129950D+01 -0.832051D+00
      2  -0.638877D+00 -0.774951D+00 -0.642004D-01 -0.832051D+00  0.212047D+00
      3   0.140973D+01 -0.642004D-01 -0.911944D+00  0.102021D+00  0.822345D+00
               186           187           188           189           190 
      1   0.102021D+00  0.217486D+01  0.135971D+00 -0.663896D+00 -0.879668D+01
      2   0.822345D+00  0.135971D+00  0.999899D+00 -0.596784D-01  0.710963D+00
      3  -0.171267D-01 -0.663896D+00 -0.596784D-01  0.728827D+01  0.483194D+00
               191           192           193           194           195 
      1   0.710963D+00  0.483194D+00  0.151853D+00 -0.147632D+01  0.597754D-01
      2  -0.214118D+01  0.879159D-01 -0.147632D+01  0.716988D+00  0.402022D+00
      3   0.879159D-01 -0.643706D+00  0.597754D-01  0.402022D+00  0.366475D+00
               196           197           198           199           200 
      1   0.590350D+00 -0.645901D-01 -0.447554D+00  0.373419D+00  0.674242D+00
      2  -0.645901D-01  0.685615D+00  0.552196D+00  0.674242D+00  0.943089D+00
      3  -0.447554D+00  0.552196D+00 -0.258154D+00 -0.108414D+01 -0.293864D+00
               201           202           203           204           205 
      1  -0.108414D+01  0.364899D+00  0.662112D+00 -0.117441D+00 -0.173145D+01
      2  -0.293864D+00  0.662112D+00  0.864679D+00 -0.864286D+00 -0.502471D+00
      3   0.127854D+01 -0.117441D+00 -0.864286D+00  0.678277D+00  0.147596D+01
               206           207           208           209           210 
      1  -0.502471D+00  0.147596D+01  0.242153D+01  0.270487D+01  0.967030D+00
      2  -0.190073D+01  0.192399D+01  0.270487D+01  0.327655D+01  0.686277D+00
      3   0.192399D+01 -0.671224D+01  0.967030D+00  0.686277D+00  0.938353D+00
               211           212           213           214           215 
      1   0.245218D+01  0.336361D+01  0.898195D+00  0.178439D+01  0.140148D+01
      2   0.336361D+01  0.697157D+01  0.200833D+01  0.140148D+01  0.329110D+01
      3   0.898195D+00  0.200833D+01  0.135573D+01  0.131452D+01  0.190875D+01
               216           217           218           219           220 
      1   0.131452D+01  0.213340D+01  0.138162D+00 -0.175259D+01  0.436800D+00
      2   0.190875D+01  0.138162D+00  0.618820D+00  0.582255D-01  0.124402D+01
      3   0.120554D+01 -0.175259D+01  0.582255D-01  0.170026D+01  0.170190D-01
               221           222           223           224           225 
      1   0.124402D+01  0.170190D-01 -0.421962D+01  0.121609D+00  0.333207D+01
      2  -0.166329D+00 -0.559412D+00  0.121609D+00 -0.914752D+00 -0.201284D-01
      3  -0.559412D+00  0.113861D+00  0.333207D+01 -0.201284D-01 -0.611767D+01
               226           227           228           229           230 
      1   0.192243D+01 -0.189020D+01  0.928497D+00 -0.377529D+01  0.332554D+01
      2  -0.189020D+01  0.182355D+01 -0.531424D+00  0.332554D+01 -0.589980D+01
      3   0.928497D+00 -0.531424D+00  0.828497D+00 -0.984175D+00  0.194287D+01
               231           232           233           234           235 
      1  -0.984175D+00  0.186514D+01 -0.890889D+00  0.162985D+01  0.498217D+01
      2   0.194287D+01 -0.890889D+00  0.207957D+01 -0.139742D+01  0.256262D+01
      3  -0.148029D+01  0.162985D+01 -0.139742D+01  0.115777D+01  0.182270D+01
               236           237           238           239           240 
      1   0.256262D+01  0.182270D+01  0.528633D+01  0.355164D+01  0.153088D+01
      2   0.194160D+01  0.866921D+00  0.355164D+01  0.355549D+01  0.183942D+01
      3   0.866921D+00  0.135823D+01  0.153088D+01  0.183942D+01  0.157042D+01
               241           242           243           244           245 
      1   0.346816D+01  0.138641D+01  0.248385D+01  0.309234D+00 -0.834910D+00
      2   0.138641D+01  0.193662D+01  0.140049D+01 -0.834910D+00 -0.530916D+00
      3   0.248385D+01  0.140049D+01  0.170509D+01  0.149796D+01  0.108651D+00
               246           247           248           249           250 
      1   0.149796D+01 -0.118379D+01 -0.106626D+01  0.214253D+00  0.252265D+01
      2   0.108651D+00 -0.106626D+01 -0.598624D+00  0.112595D+01  0.210290D+00
      3  -0.118534D+01  0.214253D+00  0.112595D+01 -0.120591D+01 -0.194022D+01
               251           252           253           254           255 
      1   0.210290D+00 -0.194022D+01  0.812190D+01 -0.233962D+00 -0.173319D+01
      2   0.141812D+01 -0.104092D+01 -0.233962D+00 -0.339561D+01 -0.692640D+00
      3  -0.104092D+01  0.613941D+01 -0.173319D+01 -0.692640D+00 -0.994920D+00
               256           257           258           259           260 
      1  -0.425040D+01 -0.376136D+01 -0.115816D+01 -0.584585D+01 -0.155402D+01
      2  -0.376136D+01  0.367515D+01 -0.145142D+01 -0.155402D+01 -0.255186D+01
      3  -0.115816D+01 -0.145142D+01 -0.169631D+01 -0.154060D+01 -0.139004D+01
               261           262           263           264           265 
      1  -0.154060D+01 -0.987310D+00  0.139128D+01  0.466615D+00  0.165917D+01
      2  -0.139004D+01  0.139128D+01 -0.191483D+01 -0.431299D+00 -0.266882D+01
      3   0.379978D+01  0.466615D+00 -0.431299D+00 -0.403442D+00 -0.506811D+00
               266           267           268           269           270 
      1  -0.266882D+01 -0.506811D+00 -0.274478D+00  0.561770D+00 -0.210517D+00
      2   0.856332D+01  0.157309D+01  0.561770D+00 -0.136560D+01  0.512080D+00
      3   0.157309D+01  0.148472D+01 -0.210517D+00  0.512080D+00  0.414421D+00
               271           272           273           274           275 
      1  -0.147940D+02 -0.209771D+01  0.246946D+00  0.136532D+00 -0.123898D+01
      2  -0.209771D+01 -0.140915D+01 -0.129775D+00 -0.123898D+01 -0.536250D+00
      3   0.246946D+00 -0.129775D+00 -0.103085D+01  0.117674D+00  0.257122D+00
               276           277           278           279           280 
      1   0.117674D+00  0.206543D+01  0.482743D+00 -0.127369D+01  0.816064D-01
      2   0.257122D+00  0.482743D+00  0.647242D+00 -0.257169D-01 -0.970189D+00
      3   0.244810D+00 -0.127369D+01 -0.257169D-01  0.293106D-01  0.342936D+00
               281           282           283           284           285 
      1  -0.970189D+00  0.342936D+00 -0.136687D+01 -0.475204D-01 -0.163173D-01
      2   0.211969D+01  0.189949D+00 -0.475204D-01 -0.850279D+01  0.997471D-01
      3   0.189949D+00  0.433415D+00 -0.163173D-01  0.997471D-01 -0.865091D+00
               286           287           288           289           290 
      1   0.101723D+01  0.301027D+00  0.140294D+00 -0.515596D+00  0.234687D+00
      2   0.301027D+00  0.124732D+01 -0.886584D+00  0.234687D+00  0.519365D+00
      3   0.140294D+00 -0.886584D+00 -0.745333D-01 -0.680152D+00  0.153244D+00
               291           292           293           294           295 
      1  -0.680152D+00  0.107395D+01  0.414090D+00  0.145627D+00 -0.183948D+01
      2   0.153244D+00  0.414090D+00  0.245251D+00 -0.495011D+00 -0.304637D+00
      3   0.278513D+00  0.145627D+00 -0.495011D+00  0.618229D+00 -0.765086D+00
               296           297 
      1  -0.304637D+00 -0.765086D+00
      2  -0.128143D+01 -0.292086D+00
      3  -0.292086D+00 -0.632090D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142118D+01 -0.217834D+01  0.938434D+00 -0.644566D+01 -0.184286D+01
      2   0.230193D+01 -0.239723D+01  0.100265D+02 -0.195551D+01  0.160832D+01
      3   0.150245D+02 -0.152443D+01  0.276861D+01  0.796341D+01 -0.183431D+01
                 6             7             8             9            10 
      1  -0.240378D+01 -0.146386D+01  0.153943D+01 -0.278548D+00 -0.142960D+01
      2  -0.300508D+01 -0.439797D+01 -0.975808D+00  0.232069D+01  0.306410D+00
      3   0.224070D+01  0.126266D+02  0.208045D+00  0.243127D+01 -0.280734D+02
                11            12            13            14            15 
      1   0.166061D+00  0.167278D+01  0.215027D+01  0.379249D+01 -0.800096D+01
      2   0.826701D+00 -0.361844D+01  0.428983D+01  0.188424D-01  0.910759D+00
      3  -0.127021D+01  0.467073D+00  0.108472D+02 -0.967226D+00 -0.399845D+00
                16            17            18            19            20 
      1  -0.328844D+01 -0.162848D+01 -0.441559D+01 -0.193262D+00  0.140016D+01
      2  -0.231309D+02 -0.135041D+01 -0.326703D+01 -0.304791D+01 -0.219557D+01
      3  -0.964822D+00 -0.147582D+01 -0.122624D+01 -0.873723D+01 -0.158976D+01
                21            22            23            24            25 
      1  -0.109535D+01  0.561396D+01 -0.193166D+01 -0.346606D+01  0.454316D+01
      2   0.306419D+01 -0.382164D+01 -0.199285D+01  0.541341D+00 -0.235798D+01
      3   0.252757D+01  0.853578D+01  0.157845D+01 -0.269576D+01  0.150040D+02
                26            27            28            29            30 
      1   0.153994D+01 -0.134896D+01  0.118381D+01  0.610611D+00 -0.235456D+01
      2   0.756272D+00 -0.563272D+00  0.907907D+00  0.203438D+01 -0.303883D+01
      3  -0.617607D+00 -0.375429D+01  0.229858D+02  0.114302D+01 -0.247611D+01
                31            32            33            34            35 
      1  -0.138132D+01  0.443438D+01 -0.829041D+01 -0.466137D+01 -0.115515D+01
      2   0.449451D+01  0.379196D+00  0.280455D+01 -0.236528D+02  0.279952D+01
      3   0.743054D+01  0.501513D+01  0.675714D+00 -0.543914D+01 -0.201546D+01
                36            37            38            39            40 
      1  -0.328074D+01 -0.163104D+01 -0.770856D+00 -0.103475D+01 -0.571678D+01
      2  -0.219921D+01 -0.520204D+00 -0.260695D+01  0.902002D+01 -0.315189D+01
      3   0.161872D+01 -0.118726D+02 -0.100579D+01  0.288512D+01  0.140728D+02
                41            42            43            44            45 
      1   0.146203D+01  0.702397D+00 -0.204729D+01  0.353668D+01  0.211010D+01
      2   0.124407D+01 -0.236099D+01 -0.719259D+01 -0.637309D+00  0.206787D+01
      3  -0.418306D+00  0.239184D+01 -0.865317D+01  0.316380D+01  0.143546D+01
                46            47            48            49            50 
      1   0.765976D+00  0.114838D+01  0.225871D+01  0.787340D+01  0.134170D+01
      2  -0.773536D+00 -0.208077D+01  0.360518D+01 -0.315039D+01 -0.143738D+01
      3   0.120653D+02 -0.189414D+01 -0.267117D-01  0.130792D+02  0.102499D+01
                51            52            53            54            55 
      1  -0.265739D+01  0.269898D+01  0.330740D+01  0.433380D+00 -0.130065D+01
      2   0.115209D+01 -0.272704D+01  0.103028D+01 -0.913416D+00 -0.438311D+01
      3  -0.425610D+01 -0.960379D+01 -0.148308D+01 -0.127072D+01  0.156833D+02
                56            57            58            59            60 
      1   0.754340D-01 -0.763664D+00 -0.176715D-01 -0.508463D+01 -0.122359D+01
      2   0.296375D+00 -0.585075D+00 -0.257656D+01 -0.104924D+02  0.132657D+01
      3   0.911205D+01  0.530950D+00  0.354352D+02 -0.815148D-01  0.630472D+01
                61            62            63            64            65 
      1  -0.430936D+00  0.410371D+01  0.463771D+01  0.180502D+01  0.107654D+01
      2  -0.204518D+02  0.699349D-01  0.193983D+02  0.462820D+01  0.157829D+01
      3   0.935004D+01  0.108525D+02  0.216237D+01 -0.191000D+02 -0.193907D+02
                66            67            68            69            70 
      1  -0.169739D+01 -0.439668D+00 -0.176241D+01 -0.233235D+01  0.455444D+00
      2   0.127082D+02  0.504986D+01  0.101032D+02  0.875906D+00  0.110640D+02
      3  -0.167631D+01 -0.239813D+02  0.535101D+01 -0.867402D+01 -0.101247D+02
                71            72            73            74            75 
      1   0.460655D+01  0.440445D+01  0.235912D+01  0.218071D+01  0.446274D+01
      2   0.345734D+01 -0.321691D+02 -0.138175D+01 -0.379376D+01 -0.435287D+01
      3  -0.126703D+02 -0.276287D+01  0.251529D+02  0.337237D+01  0.338933D+00
                76            77            78            79            80 
      1   0.295815D+01  0.893208D+01  0.164733D+01  0.643370D+01  0.846789D+01
      2  -0.490932D+01 -0.104473D+02 -0.432698D+01 -0.114379D+02 -0.647799D+01
      3   0.983634D+01 -0.678499D+01  0.818655D+01  0.117320D+01  0.112688D+02
                81            82            83            84            85 
      1  -0.114580D+02 -0.442705D+00 -0.359487D+00  0.279611D+00 -0.269370D+00
      2   0.176301D+02 -0.610932D+01 -0.213504D+01 -0.145843D+02 -0.392240D+01
      3   0.281820D+01  0.971397D+01  0.181296D+02  0.268224D+01  0.362342D+02
                86            87            88            89            90 
      1   0.110227D+01 -0.254033D+01  0.497641D+00  0.116501D+01 -0.104451D+01
      2  -0.202105D+02 -0.128451D+01 -0.293644D+02 -0.146964D+01  0.255247D+02
      3  -0.130569D+02  0.209953D+02  0.441899D+01  0.209448D+02  0.192713D+01
                91            92            93            94            95 
      1   0.105123D+01  0.251492D+00  0.181252D+01  0.215408D+01 -0.127535D+01
      2  -0.373639D+01 -0.328000D+01 -0.357814D+00 -0.379343D+01 -0.354714D+01
      3  -0.518990D+00  0.155225D+00  0.259130D+01  0.319915D+02 -0.144523D+02
                96            97            98            99           100 
      1  -0.311169D+01  0.303184D+01  0.503624D+01 -0.179086D+01 -0.924783D+00
      2  -0.643396D+01 -0.160413D+02 -0.678832D+01  0.156056D+02  0.152913D+01
      3  -0.278861D+00  0.154560D+01  0.486253D+01  0.500569D+01  0.117172D+02
               101           102           103           104           105 
      1  -0.538441D+01 -0.478921D+01 -0.751946D+00 -0.459043D+00  0.162965D+01
      2   0.304406D+01  0.418056D+01  0.208320D+01  0.138322D+01  0.119674D+02
      3  -0.130878D+02 -0.440422D+01 -0.720548D+01  0.170784D+01  0.267381D+01
               106           107           108           109           110 
      1  -0.625044D+01  0.269037D+00 -0.377915D+01  0.416200D+01  0.295976D+01
      2  -0.338997D+01  0.852051D+01 -0.175475D+02  0.969650D+01 -0.260682D+01
      3  -0.869047D+01  0.114007D+02 -0.513410D+01 -0.591955D+00 -0.492777D+01
               111           112           113           114           115 
      1   0.378891D+01 -0.213048D+00  0.615298D+00 -0.622274D+01  0.378974D+01
      2   0.925279D+01 -0.780900D+00  0.769562D+01 -0.102086D+02  0.422430D+01
      3   0.454831D+00 -0.378636D+01  0.114852D+02 -0.793417D+01  0.102443D+02
               116           117           118           119           120 
      1   0.507055D+01  0.111681D+02 -0.352086D+01  0.300486D+01  0.226863D+00
      2  -0.591154D+01  0.302720D+02 -0.553648D+01 -0.656658D+00  0.244074D+00
      3  -0.176595D+02  0.522662D+01 -0.967130D+00  0.665803D+01  0.401576D+01
               121           122           123           124           125 
      1   0.122186D+01 -0.535306D+01 -0.312754D+01 -0.245936D+01  0.736413D+01
      2  -0.210460D+01 -0.500018D+01 -0.195164D+01 -0.222780D+01 -0.672109D+01
      3   0.745681D+01 -0.118038D+02  0.341732D+01 -0.219934D+01  0.891315D+01
               126           127           128           129           130 
      1  -0.652740D+01 -0.159277D+01 -0.188155D+01  0.940471D+00 -0.189285D+00
      2  -0.145330D+02  0.462451D+01  0.859196D+00 -0.126834D+01  0.266668D+00
      3   0.765743D+01 -0.209791D+00 -0.842414D+00  0.727558D+00  0.993504D+00
               131           132           133           134           135 
      1  -0.134099D+01 -0.111652D+00  0.295106D+01  0.547500D+01 -0.458331D+01
      2  -0.156633D+00  0.563209D+00 -0.490641D+01 -0.666651D+00 -0.158182D+01
      3  -0.394464D+00  0.237774D+00  0.782492D+00  0.212869D+01 -0.151457D+01
               136           137           138           139           140 
      1  -0.255398D+01  0.302873D+01 -0.708441D+00  0.934635D+00 -0.118787D+01
      2  -0.833666D+01  0.200990D+01 -0.133533D+01  0.213551D+01 -0.515289D+00
      3   0.653377D+00 -0.153990D+01  0.679349D+00  0.810812D+00  0.110098D+01
               141           142           143           144           145 
      1  -0.677215D+00 -0.177539D+01  0.389447D+01 -0.270370D+01  0.167521D+01
      2  -0.351254D-01 -0.387381D+01  0.315817D+00  0.846171D+00  0.432244D+01
      3  -0.271012D+00  0.713706D+00 -0.247822D+01  0.170023D+01  0.279056D+01
               146           147           148           149           150 
      1  -0.102286D+01 -0.216602D+01  0.102880D+01 -0.364451D-01 -0.349204D+01
      2   0.530170D+00 -0.118714D+01  0.434019D+00 -0.126140D+00  0.552601D+00
      3   0.184257D-01 -0.207580D+01  0.165494D+01 -0.338571D+00 -0.608917D+00
               151           152           153           154           155 
      1  -0.156000D+01  0.237520D+01  0.545601D+01  0.238124D+01  0.146261D+01
      2  -0.429872D+01 -0.327964D+00 -0.106906D+01 -0.547767D+01  0.474394D+00
      3  -0.228580D+01  0.841274D+00  0.179364D+01 -0.504774D+01 -0.648995D+00
               156           157           158           159           160 
      1   0.216349D+01 -0.126050D+01  0.192766D+00 -0.356921D+01  0.220257D+01
      2  -0.757101D+00  0.107403D+01  0.192567D+00 -0.926278D+00 -0.308997D+01
      3  -0.241967D+01  0.369391D+01  0.657339D+00  0.929104D+00 -0.293896D+01
               161           162           163           164           165 
      1   0.152801D+01  0.400978D+01 -0.147196D+01 -0.596718D+00  0.113084D+01
      2  -0.151100D+00  0.194191D+01 -0.574866D+01  0.491687D+00  0.481506D+01
      3  -0.129687D+01 -0.170657D+01 -0.161703D+01 -0.332690D+01  0.771515D+00
               166           167           168           169           170 
      1   0.184410D-01 -0.321536D+00 -0.725495D+00  0.228022D+01  0.209884D+01
      2   0.643061D+00 -0.160005D+01  0.347798D+00  0.202613D+01 -0.372921D+01
      3  -0.325717D+01  0.381776D+00  0.208614D+01  0.293784D+01  0.386216D+01
               171           172           173           174           175 
      1  -0.642339D+01  0.112955D+01 -0.107728D+01  0.138153D+01 -0.154428D+01
      2  -0.205453D+02  0.473330D+01 -0.148443D+01  0.319841D+01 -0.228856D+01
      3   0.188311D+00  0.101484D+01 -0.651205D+01 -0.249550D+00 -0.401072D+01
               176           177           178           179           180 
      1   0.360785D+01 -0.327603D+01  0.151944D+01 -0.119172D+01  0.105993D+01
      2   0.562549D+01 -0.349584D+01  0.345432D+01 -0.409447D+01  0.901228D+00
      3   0.183329D+02 -0.210086D+01 -0.323197D+01 -0.612592D+01  0.199782D+01
               181           182           183           184           185 
      1  -0.200135D+01 -0.130733D+01  0.868328D+00 -0.823185D+00 -0.299112D+00
      2   0.759810D+01  0.412552D+00 -0.451133D+01  0.148051D+01  0.399558D+01
      3   0.191591D+01  0.227866D+01  0.391819D+00  0.501526D+01 -0.787833D+00
               186           187           188           189           190 
      1  -0.347697D+00  0.148379D+01  0.333936D+01 -0.407087D+01 -0.135732D+00
      2  -0.682214D+00 -0.844272D+01 -0.106441D+01  0.301564D+02 -0.106923D+01
      3  -0.322183D+01 -0.941235D-02 -0.348592D+01 -0.104726D+00 -0.264708D+02
               191           192           193           194           195 
      1   0.267926D+00  0.218696D+01 -0.552175D-01 -0.111181D+01 -0.114639D+01
      2   0.583424D+00 -0.341099D+00  0.651898D+00  0.112116D+01  0.252521D+00
      3   0.613780D+01  0.849731D+00  0.704960D+01 -0.442085D+01 -0.136300D+01
               196           197           198           199           200 
      1   0.231221D+01  0.339884D+00  0.560903D+00  0.237289D+01 -0.804858D-01
      2  -0.371955D+01  0.123577D+01 -0.850921D+00 -0.366995D+01 -0.105889D+01
      3   0.103488D+01 -0.245714D+01 -0.294425D+01 -0.255461D+01 -0.323296D+01
               201           202           203           204           205 
      1  -0.270383D+01  0.243914D+00  0.133713D+01 -0.220445D+01 -0.282411D+01
      2   0.459736D+01 -0.412680D+00 -0.261936D+01  0.175357D+01  0.873370D+00
      3  -0.636192D+00 -0.641522D+00 -0.165472D+01  0.260311D+01 -0.209104D+01
               206           207           208           209           210 
      1  -0.301989D+00  0.150133D+02 -0.273552D+01 -0.206749D+01 -0.359097D+01
      2   0.612779D+01 -0.225479D+02  0.359121D+01  0.291077D+01  0.449915D+01
      3   0.673138D+01 -0.498688D+01 -0.463644D+01 -0.820770D+01 -0.454043D+00
               211           212           213           214           215 
      1  -0.336534D+01 -0.570537D+01 -0.567200D+01 -0.346433D+01 -0.346109D+01
      2   0.320472D+01  0.765447D+01  0.574644D+01  0.365890D+01  0.685224D+01
      3  -0.362298D+01 -0.190578D+02 -0.506747D+01 -0.638968D+00 -0.974838D+01
               216           217           218           219           220 
      1  -0.358423D+01  0.291028D+00 -0.463150D+00 -0.655834D-01  0.376030D-01
      2   0.451059D+01 -0.979181D+01  0.276961D+00  0.109513D+02  0.472885D-01
      3  -0.444507D+01 -0.645515D+00 -0.436073D+01 -0.372976D+00 -0.538416D+01
               221           222           223           224           225 
      1   0.697052D-01 -0.777992D+00 -0.557664D+00  0.242584D+01  0.915606D+00
      2  -0.300524D+01  0.561960D+00  0.157527D+02 -0.740336D-01 -0.358651D+02
      3   0.997325D+00  0.276310D+01 -0.788918D+00  0.588639D+01 -0.174156D+00
               226           227           228           229           230 
      1  -0.777266D+00  0.700554D+00  0.391388D+00  0.806400D+00 -0.248019D+01
      2   0.465040D+01 -0.252099D+01  0.516759D+01 -0.381389D+01  0.103965D+02
      3   0.101645D+02 -0.112137D+02  0.305555D+01 -0.148976D+02  0.335964D+02
               231           232           233           234           235 
      1  -0.152515D+01 -0.281057D+00  0.177153D+01  0.113342D+00  0.269012D+00
      2  -0.911688D+01  0.688728D+01 -0.758623D+01  0.597888D+01  0.838671D+01
      3  -0.108328D+02  0.426585D+01 -0.120749D+02  0.740512D+01 -0.126724D+02
               236           237           238           239           240 
      1   0.830214D+00 -0.873253D+00  0.464451D+00  0.121801D+01 -0.140107D+01
      2   0.410538D+01  0.891898D+01  0.651468D+01  0.945615D+01  0.948309D+01
      3  -0.125917D+02 -0.465935D+01 -0.168286D+02 -0.204287D+02 -0.102178D+02
               241           242           243           244           245 
      1  -0.533829D+00  0.149341D+01 -0.660045D+00  0.427952D+00 -0.383810D+00
      2   0.112651D+02  0.742476D+01  0.903345D+01 -0.597695D+01 -0.510511D-01
      3  -0.653072D+01 -0.116272D+02 -0.745821D+01 -0.261528D+01 -0.193267D+01
               246           247           248           249           250 
      1  -0.837581D+00 -0.133467D+00  0.143248D+00 -0.870877D+00 -0.132252D+01
      2   0.373916D+01  0.171905D+00 -0.283322D+01  0.422537D+01  0.146485D+01
      3  -0.569732D+00 -0.118847D+01 -0.119181D+01  0.308290D+01 -0.109043D+01
               251           252           253           254           255 
      1   0.259337D+01  0.338837D+01 -0.230796D+01  0.112556D+01 -0.239246D+01
      2   0.359147D+01 -0.195312D+02  0.144489D+02  0.368058D+01  0.640066D+01
      3   0.379507D+01 -0.213182D+01 -0.153800D+02 -0.158012D+02  0.122615D+00
               256           257           258           259           260 
      1  -0.145789D+01 -0.643579D+01 -0.396177D+01 -0.792430D+00  0.148875D+01
      2   0.476175D+01  0.526515D+01  0.607249D+01  0.404748D+01  0.514839D+01
      3  -0.723422D+01  0.208802D+02 -0.412073D+01  0.693447D+00 -0.687176D+01
               261           262           263           264           265 
      1   0.926811D+01  0.952148D+00 -0.179356D+01  0.456349D+00 -0.272985D+01
      2  -0.186004D+02 -0.581381D+00  0.139637D+00  0.105812D+01 -0.167715D+00
      3  -0.445912D+01  0.297783D+01 -0.456788D+01 -0.174985D+01 -0.416532D+01
               266           267           268           269           270 
      1   0.879463D+01 -0.162251D+01  0.508473D+00 -0.136744D+01  0.801985D+00
      2  -0.269795D+01 -0.466491D+01  0.313078D+00 -0.173728D+01 -0.881875D+00
      3   0.260918D+02  0.471021D+01  0.141140D+01 -0.460965D+01  0.159390D+01
               271           272           273           274           275 
      1   0.113555D+01  0.535828D+00 -0.220086D+01  0.952150D+00  0.702674D+00
      2  -0.796297D+01 -0.288470D+00  0.751305D+01 -0.993682D+00 -0.163845D+01
      3   0.147674D+02 -0.551895D+01 -0.110188D+01 -0.380201D+01 -0.208394D+00
               276           277           278           279           280 
      1  -0.162367D+00 -0.226851D+01  0.633596D+00 -0.173157D+00  0.155400D+01
      2  -0.621645D+00  0.471805D+01 -0.171026D+00 -0.264251D+00 -0.117165D+01
      3   0.100223D+01 -0.113739D+01  0.194025D+01  0.198433D+01 -0.586860D+01
               281           282           283           284           285 
      1  -0.865924D+00  0.168964D+01 -0.425607D+00  0.528844D+01 -0.397520D+01
      2  -0.980541D+00 -0.129644D+01 -0.794915D+00 -0.224775D+00  0.291616D+01
      3   0.869605D+01 -0.319225D+00  0.527597D+01 -0.316067D+02  0.843313D+00
               286           287           288           289           290 
      1   0.831309D+00 -0.141663D+01  0.528095D+00 -0.191748D+01 -0.592187D+00
      2  -0.174030D+01  0.306836D+01  0.443718D+00  0.458110D+01  0.277295D-01
      3  -0.126065D+01  0.417741D+01 -0.348751D+01  0.159870D+01  0.108851D+01
               291           292           293           294           295 
      1   0.624375D+00 -0.269126D+00 -0.255160D+01  0.985262D+00 -0.204574D+00
      2  -0.179486D+01  0.133464D+01  0.240526D+01 -0.293924D+01 -0.182135D+01
      3   0.118577D+01  0.114465D+01  0.641257D+00 -0.206599D+01  0.147733D+01
               296           297 
      1   0.325717D+01 -0.116014D+02
      2   0.182547D+00  0.252639D+02
      3  -0.427935D+01  0.614847D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.999930D+00 -0.871270D+01  0.226778D+02  0.154035D+02 -0.278316D+01
      2   0.620553D+01  0.384536D+01 -0.837807D+01 -0.343741D+01  0.432593D+01
      3  -0.520560D+01  0.486734D+01 -0.142997D+02 -0.119661D+02 -0.154277D+01
      4  -0.194323D+01  0.214380D+01  0.554052D+00  0.819335D+01  0.453464D+01
      5   0.206161D+02  0.111339D+01 -0.694869D+01 -0.511944D+01 -0.237231D+01
      6  -0.191145D+00 -0.271334D+01  0.152494D+01 -0.927806D+00  0.411331D+01
                 6             7             8             9            10 
      1  -0.171847D+02 -0.213813D+02 -0.986605D+01  0.691522D+01  0.468661D+02
      2   0.123692D+01  0.297644D+01  0.214042D+01  0.342829D+01 -0.177938D+02
      3   0.159478D+02  0.184049D+02  0.772563D+01 -0.103435D+02 -0.290722D+02
      4  -0.395405D+01  0.359426D+01 -0.184579D+01 -0.480358D+01 -0.110624D+02
      5  -0.432183D+01  0.930581D+01 -0.449949D+01  0.598980D+01 -0.490135D+01
      6   0.115594D+02 -0.720687D+01  0.445848D+01  0.142627D+02  0.248182D+01
                11            12            13            14            15 
      1   0.733560D+01 -0.106930D+01  0.980193D+01 -0.140919D+01  0.751848D+01
      2  -0.601867D+01  0.262348D+01 -0.906957D+01  0.720419D+01 -0.944678D+00
      3  -0.131692D+01 -0.155418D+01 -0.732355D+00 -0.579500D+01 -0.657380D+01
      4   0.277244D+01 -0.289691D+01  0.170243D+02 -0.482593D+01 -0.693766D+00
      5  -0.342184D+01  0.641327D+01  0.111046D+02 -0.603884D+00 -0.146437D+01
      6   0.139833D+00 -0.585761D+01 -0.475096D+01  0.396703D+01  0.778739D+01
                16            17            18            19            20 
      1  -0.107757D+02  0.765681D+01 -0.213571D+02 -0.955159D+00  0.595749D+01
      2  -0.468006D+00  0.393733D+01  0.321209D+01 -0.172388D+01 -0.228960D+01
      3   0.112437D+02 -0.115941D+02  0.181450D+02  0.267904D+01 -0.366790D+01
      4   0.146999D+02  0.130353D+01 -0.232536D+01  0.426114D+01 -0.417607D+00
      5  -0.157614D+02 -0.172166D+01 -0.367326D+01 -0.183806D+02  0.220618D+01
      6  -0.420621D+01  0.192970D+01 -0.535176D+01  0.310379D+01  0.426504D+01
                21            22            23            24            25 
      1  -0.266368D+02 -0.870980D+01 -0.505220D+01 -0.613166D+01  0.228053D+02
      2   0.759880D+01 -0.195987D+01  0.705964D+01  0.358904D-01 -0.648566D+00
      3   0.190380D+02  0.106697D+02 -0.200744D+01  0.609577D+01 -0.221568D+02
      4   0.174168D+01  0.380245D+01 -0.157309D+01  0.366761D+01  0.407497D+01
      5  -0.183459D+01  0.914501D+00  0.198219D+01  0.631608D+01  0.120445D+02
      6   0.352537D+01  0.303267D+01  0.228390D+01  0.697168D+01  0.998340D+01
                26            27            28            29            30 
      1  -0.906825D+01  0.963258D+01  0.119464D+02  0.221791D+00  0.727920D+00
      2   0.219981D+01 -0.251831D+01 -0.183790D+01  0.423264D+01  0.758957D+00
      3   0.686844D+01 -0.711427D+01 -0.101085D+02 -0.445443D+01 -0.148688D+01
      4   0.331590D+01  0.719182D+01  0.234783D+02  0.260789D+01 -0.138863D+01
      5   0.526561D+01 -0.458888D+01  0.221783D+01 -0.754443D+00  0.687689D+01
      6   0.180883D+01  0.105153D+02  0.335480D+01 -0.119487D+01  0.364777D+01
                31            32            33            34            35 
      1  -0.526540D+00 -0.178462D+01  0.871283D+01 -0.969917D+01  0.102486D+02
      2   0.645383D+01  0.486151D+01 -0.228719D+01  0.188136D+01  0.244562D+01
      3  -0.592729D+01 -0.307688D+01 -0.642564D+01  0.781781D+01 -0.126942D+02
      4   0.155251D+02 -0.923189D-01  0.182440D+01  0.111896D+02  0.485656D+01
      5   0.123657D+02  0.600991D+00  0.113631D+01 -0.184168D+02  0.202779D+01
      6  -0.118235D+01  0.402859D+01  0.625941D+01 -0.169227D+01  0.210399D+01
                36            37            38            39            40 
      1  -0.238903D+02  0.112155D+02 -0.128473D+02  0.247110D+02  0.348839D+01
      2   0.435427D+01  0.474108D-01  0.995632D+01 -0.116290D+02  0.494042D+01
      3   0.195360D+02 -0.112629D+02  0.289094D+01 -0.130820D+02 -0.842881D+01
      4   0.970648D-01 -0.103609D+02 -0.917157D+00  0.413790D+01  0.140805D+02
      5  -0.256888D+01  0.151056D+02  0.207541D+01 -0.855053D+01 -0.291532D+01
      6  -0.736547D+01  0.557009D-01 -0.472064D+01  0.552449D+01 -0.564513D+00
                41            42            43            44            45 
      1  -0.101466D+02 -0.840131D+01 -0.167452D+02 -0.595944D+01  0.109562D+02
      2   0.157535D+02 -0.930662D+01  0.164987D+01 -0.247096D+01 -0.144654D+01
      3  -0.560687D+01  0.177079D+02  0.150953D+02  0.843040D+01 -0.950964D+01
      4   0.638749D+01 -0.304627D+01 -0.396996D+01 -0.212807D+01 -0.616993D+01
      5  -0.164286D+01 -0.305245D+01  0.763914D+01 -0.564265D+01  0.794008D+01
      6  -0.550421D+01  0.544646D+01 -0.926789D+01  0.206411D+00  0.917750D+01
                46            47            48            49            50 
      1  -0.998549D+01  0.943450D+01 -0.257512D+02 -0.586791D+01 -0.147908D+02
      2   0.281098D+01 -0.694735D+01  0.828274D+01 -0.574712D+01  0.209631D+02
      3   0.717451D+01 -0.248715D+01  0.174684D+02  0.116150D+02 -0.617230D+01
      4   0.997465D+01  0.761766D-01  0.370376D+01  0.543144D+01 -0.624708D+01
      5  -0.157137D+02  0.440085D+01 -0.336647D+01  0.489253D+01  0.184771D+01
      6   0.348956D+01  0.417097D+01 -0.425105D+01 -0.252110D+00 -0.493993D+01
                51            52            53            54            55 
      1   0.149614D+01  0.349857D+02 -0.518546D+01  0.106876D+02 -0.360254D+02
      2  -0.945758D+01 -0.831172D+01 -0.793071D-01 -0.527653D+01  0.121653D+02
      3   0.796144D+01 -0.266740D+02  0.526477D+01 -0.541102D+01  0.238601D+02
      4   0.128372D+01 -0.438369D+01 -0.396464D+00  0.751024D+01  0.442941D+00
      5   0.632541D+01  0.482105D+01  0.643940D+01 -0.681754D+01 -0.406408D+01
      6   0.400096D+01  0.110977D+02 -0.269169D+01  0.808847D+01  0.181804D+01
                56            57            58            59            60 
      1  -0.108813D+02 -0.448475D+01 -0.380172D+02 -0.292212D+02 -0.491274D+01
      2   0.808637D+01 -0.963833D+00  0.264559D+02  0.317483D+01  0.474685D+01
      3   0.279495D+01  0.544858D+01  0.115613D+02  0.260464D+02  0.165898D+00
      4  -0.233231D+02 -0.396326D+00 -0.495932D+02  0.244277D+02 -0.120710D+02
      5  -0.870431D+00 -0.964711D+01 -0.499792D+01 -0.124340D+02  0.886993D+00
      6   0.538246D+00  0.172603D+01 -0.640554D-01  0.368806D+01 -0.770938D-01
                61            62            63            64            65 
      1  -0.286155D+02 -0.762280D+01 -0.723367D+01 -0.487571D+02  0.154499D+02
      2   0.509578D+01  0.748890D+01  0.115963D+02  0.310198D+02 -0.337958D+01
      3   0.235197D+02  0.133909D+00 -0.436265D+01  0.177374D+02 -0.120703D+02
      4  -0.492871D+01 -0.204496D+02  0.592086D+01  0.165680D+02  0.267609D+02
      5  -0.235384D+02  0.315026D+01  0.367524D+02  0.170378D+00  0.306974D+01
      6   0.359052D+01 -0.165097D+01 -0.692204D+01  0.693623D+00 -0.178577D+01
                66            67            68            69            70 
      1  -0.149057D+01  0.511503D+02  0.473311D+02  0.713204D+00  0.203680D+02
      2  -0.211874D+01 -0.218785D+02 -0.258296D+02  0.152061D+01 -0.863068D+01
      3   0.360931D+01 -0.292717D+02 -0.215015D+02 -0.223381D+01 -0.117374D+02
      4   0.260821D+01  0.433857D+02 -0.124942D+02  0.156590D+02  0.683225D+01
      5   0.173202D+02  0.772397D+01  0.179671D+02  0.292696D+01  0.313420D+02
      6   0.272363D+01  0.231581D+01  0.406589D+01 -0.187681D+00  0.256745D+01
                71            72            73            74            75 
      1   0.261586D+01  0.329002D+02  0.508381D+02 -0.613396D+01 -0.792271D+01
      2   0.249930D+01 -0.759343D+01 -0.353058D+02 -0.809165D+01  0.136944D+00
      3  -0.511516D+01 -0.253067D+02 -0.155322D+02  0.142256D+02  0.778576D+01
      4   0.201331D+02  0.533106D+01 -0.300292D+01 -0.304489D+02 -0.753641D+01
      5   0.459231D+01 -0.530739D+02 -0.758756D+01 -0.511212D+01 -0.122177D+02
      6   0.331910D+01 -0.626518D+01 -0.673299D+01 -0.238715D+01 -0.860869D+01
                76            77            78            79            80 
      1  -0.120630D+02 -0.310799D+02  0.306952D+01 -0.116367D+02  0.226938D+01
      2  -0.614377D+01  0.119675D+02 -0.115964D+02 -0.136840D+01 -0.147294D+02
      3   0.182068D+02  0.191123D+02  0.852688D+01  0.130051D+02  0.124601D+02
      4  -0.353701D+02 -0.133347D+02 -0.206114D+02 -0.909852D+01 -0.287565D+02
      5  -0.632517D+01 -0.202764D+02 -0.876845D+01 -0.195350D+02 -0.139889D+02
      6  -0.523567D+01 -0.160932D+02 -0.467261D+01 -0.105172D+02 -0.870468D+01
                81            82            83            84            85 
      1  -0.806625D+01  0.557351D+02 -0.183727D+02 -0.527294D+01 -0.297233D+02
      2   0.778840D+01 -0.301055D+02  0.868581D+01  0.120155D+01  0.142040D+02
      3   0.277848D+00 -0.256296D+02  0.968689D+01  0.407139D+01  0.155193D+02
      4  -0.188237D+02 -0.210719D+02 -0.385568D+02 -0.558193D+01 -0.585761D+02
      5   0.386862D+02 -0.849727D+01 -0.607389D+01 -0.323270D+02 -0.104684D+02
      6   0.194542D+02 -0.163160D+01 -0.468676D+01 -0.198822D+01 -0.868964D+01
                86            87            88            89            90 
      1  -0.515424D+02 -0.666647D+01 -0.148886D+02 -0.595622D+01 -0.421721D+02
      2   0.250042D+02  0.259590D+01  0.384495D+01  0.205254D+01  0.234957D+02
      3   0.265382D+02  0.407056D+01  0.110436D+02  0.390368D+01  0.186764D+02
      4   0.218593D+02 -0.400688D+02 -0.950169D+01 -0.390988D+02 -0.479764D+01
      5  -0.429827D+02 -0.422679D+01 -0.502334D+02 -0.380130D+01  0.477010D+02
      6   0.409768D+00 -0.481062D+01 -0.311967D+01 -0.491403D+01  0.126562D+01
                91            92            93            94            95 
      1   0.147528D+02 -0.546355D+01 -0.193805D+01 -0.984772D+01 -0.177516D+02
      2  -0.973873D+01 -0.134957D+01 -0.871910D+00  0.356197D+01  0.788466D+01
      3  -0.501404D+01  0.681313D+01  0.280996D+01  0.628575D+01  0.986693D+01
      4  -0.202098D+02 -0.150922D+02 -0.709578D+01 -0.393809D+02  0.131487D+02
      5  -0.673408D+01 -0.627514D+01 -0.864635D+01 -0.119877D+02 -0.334719D+01
      6  -0.375220D+01 -0.203977D+01 -0.394790D+01 -0.229002D+01 -0.482583D+01
                96            97            98            99           100 
      1  -0.614495D+01 -0.149953D+02 -0.763549D+01 -0.204935D+01 -0.668490D+01
      2   0.165403D+00 -0.156890D+00 -0.129371D+01  0.734411D+01  0.164068D+01
      3   0.597955D+01  0.151522D+02  0.892920D+01 -0.529477D+01  0.504422D+01
      4  -0.297604D+01 -0.171155D+02 -0.143549D+02 -0.158652D+02  0.120917D+02
      5  -0.127399D+02 -0.153654D+02 -0.145782D+02  0.309466D+02 -0.161660D+02
      6  -0.259974D+01 -0.760036D+01 -0.308756D+01  0.866743D+01  0.514117D+01
               101           102           103           104           105 
      1   0.517781D+01 -0.820236D+01  0.182345D+02  0.455622D+01  0.913238D+01
      2  -0.111280D+00  0.568010D+01 -0.124290D+02 -0.464134D+00 -0.310079D+01
      3  -0.506653D+01  0.252226D+01 -0.580546D+01 -0.409209D+01 -0.603160D+01
      4  -0.209431D+01  0.644577D+01 -0.221809D+01 -0.123734D+02 -0.242256D+01
      5   0.566784D+01 -0.384795D+01  0.757773D+01 -0.243844D+01  0.224197D+02
      6  -0.530950D+01  0.614424D+01 -0.121984D+01 -0.149284D+01 -0.143486D+02
               106           107           108           109           110 
      1  -0.227048D+02  0.936566D+01 -0.544874D+01  0.441633D+02 -0.126835D+02
      2   0.910873D+01  0.130427D+01  0.333835D+01 -0.213080D+02  0.386136D+01
      3   0.135961D+02 -0.106699D+02  0.211040D+01 -0.228553D+02  0.882211D+01
      4   0.180002D+02 -0.157981D+02  0.185874D+02 -0.241859D+02  0.206697D+02
      5  -0.186279D+02  0.161265D+02 -0.254622D+02  0.311658D+02 -0.596842D+01
      6   0.103513D+02 -0.163778D+02  0.689043D+01 -0.108573D+02  0.394049D+01
               111           112           113           114           115 
      1   0.243314D+02 -0.151769D+02  0.381817D+01 -0.175628D+01  0.384977D+02
      2  -0.144027D+02  0.224475D+01  0.815468D+01 -0.132126D+01 -0.194365D+02
      3  -0.992870D+01  0.129322D+02 -0.119729D+02  0.307754D+01 -0.190612D+02
      4  -0.990058D+01  0.258195D+02 -0.234382D+02  0.180253D+02 -0.229259D+02
      5   0.231760D+02 -0.118715D+02  0.173431D+02 -0.193096D+02  0.352995D+02
      6  -0.779535D+01  0.592012D+01 -0.113906D+02  0.177421D+02 -0.107888D+02
               116           117           118           119           120 
      1  -0.324264D+01  0.111198D+02  0.313874D+00 -0.905695D+01 -0.125321D+02
      2  -0.353196D+01 -0.153180D+02 -0.330785D+01  0.116842D+02  0.775823D+01
      3   0.677460D+01  0.419825D+01  0.299398D+01 -0.262722D+01  0.477388D+01
      4   0.307277D+02 -0.176018D+02  0.152066D+01 -0.670240D+01  0.346004D+01
      5  -0.158969D+02  0.592915D+02 -0.812138D+01 -0.965290D+00  0.587715D+01
      6   0.156319D+02 -0.274845D+02  0.344811D+01  0.513265D+01  0.123347D+01
               121           122           123           124           125 
      1  -0.285885D+01 -0.728125D+01 -0.568754D+01 -0.119713D+02 -0.775718D+01
      2   0.111519D+02 -0.116715D+02  0.274563D+01  0.632390D+01  0.804633D+01
      3  -0.829303D+01  0.189527D+02  0.294192D+01  0.564740D+01 -0.289149D+00
      4  -0.872739D+01  0.361383D+02 -0.422384D+01  0.123892D+02 -0.180826D+02
      5   0.161314D+01 -0.344692D+01 -0.451645D+01  0.160004D+02 -0.161733D+02
      6   0.266685D+01  0.264368D+01  0.104338D+02 -0.571233D+01  0.195548D+02
               126           127           128           129           130 
      1  -0.944959D+01 -0.819436D+00 -0.238628D+00  0.324236D+01 -0.301845D+01
      2  -0.621549D+01 -0.530386D+01 -0.117546D+01  0.520087D+01 -0.660962D+00
      3   0.156651D+02  0.612329D+01  0.141409D+01 -0.844323D+01  0.367941D+01
      4  -0.143760D+02  0.714911D+00  0.211439D+01 -0.865787D+00  0.124710D+01
      5  -0.318796D+02 -0.914467D+01 -0.259865D+01  0.116061D+02 -0.294834D+01
      6   0.215098D+02  0.947666D-01 -0.183538D+01 -0.448744D+00 -0.136384D+01
               131           132           133           134           135 
      1  -0.384720D+01  0.777455D+01  0.355109D+01  0.464690D+01 -0.244923D+02
      2  -0.678315D+00  0.297558D+01  0.644443D+01  0.192420D+01 -0.143873D+02
      3   0.452552D+01 -0.107501D+02 -0.999551D+01 -0.657110D+01  0.388796D+02
      4   0.101165D+01 -0.156123D+01 -0.217758D+01 -0.348192D+01  0.191769D+01
      5  -0.294403D+01  0.434241D+01  0.116309D+02  0.399169D+01 -0.186935D+02
      6  -0.337489D+01  0.273944D+01  0.100060D+01  0.574606D+01 -0.254275D+01
               136           137           138           139           140 
      1   0.404340D+01 -0.374543D+00 -0.135274D+01 -0.235543D+00 -0.190476D+01
      2  -0.597031D+01  0.951868D+00 -0.426716D+01  0.210397D+01 -0.539036D+00
      3   0.192691D+01 -0.577325D+00  0.561990D+01 -0.186843D+01  0.244379D+01
      4  -0.303215D+01  0.386562D+01 -0.120692D+01  0.251736D+01 -0.303221D+01
      5   0.117873D+02 -0.302993D+01  0.996088D+01 -0.452556D+01  0.343568D+01
      6  -0.528681D+00  0.192776D+01 -0.709502D+00  0.898708D+00 -0.302947D+01
               141           142           143           144           145 
      1   0.493111D+01 -0.354152D+01  0.418527D+01 -0.124419D+02 -0.279250D+01
      2   0.197239D+01 -0.539648D+01  0.100940D+01 -0.846201D+01 -0.274411D+01
      3  -0.690350D+01  0.893800D+01 -0.519467D+01  0.209039D+02  0.553661D+01
      4   0.156153D+01 -0.157203D+01  0.303619D+01 -0.263780D+01  0.537861D+01
      5  -0.549884D+01  0.123772D+02 -0.434531D+01  0.159210D+02 -0.921473D+01
      6   0.232071D+01 -0.177568D+01  0.476578D+01 -0.339608D+01 -0.576783D+01
               146           147           148           149           150 
      1  -0.182589D+01  0.534379D+01 -0.303089D+01 -0.543864D+01  0.938974D+01
      2   0.466643D+00  0.286247D+01 -0.255401D+00  0.137507D+01 -0.604407D-01
      3   0.135924D+01 -0.820626D+01  0.328629D+01  0.406356D+01 -0.932929D+01
      4   0.367719D+01 -0.535985D+01  0.252724D+01  0.217481D+01 -0.312986D+01
      5  -0.353643D+01  0.119034D+02 -0.335992D+01 -0.308886D+01  0.442922D+01
      6  -0.357171D+01  0.602964D+01 -0.326023D+01 -0.617980D+01  0.942889D+01
               151           152           153           154           155 
      1   0.763592D+01  0.109157D+02 -0.300160D+02  0.253002D+01  0.244417D+01
      2   0.225397D+01 -0.309242D+01 -0.615326D+01 -0.324806D+01 -0.243982D+01
      3  -0.988989D+01 -0.782329D+01  0.361692D+02  0.718037D+00 -0.435233D-02
      4  -0.578233D+01 -0.512212D+01  0.790062D+01 -0.107333D+02  0.734654D+01
      5   0.111254D+02  0.528995D+01 -0.180298D+02  0.156219D+02 -0.588289D+01
      6   0.829531D+01  0.127202D+02 -0.233295D+02 -0.901930D+01  0.580469D+01
               156           157           158           159           160 
      1  -0.181309D+01  0.746769D+00 -0.400803D+01  0.573061D+01 -0.400296D+01
      2  -0.239003D+01  0.531070D+00  0.216647D+01 -0.507055D+00 -0.269848D+01
      3   0.420312D+01 -0.127784D+01  0.184156D+01 -0.522355D+01  0.670144D+01
      4  -0.823649D+01  0.529602D+01 -0.569239D+01  0.590952D+01 -0.871760D+01
      5   0.136930D+02 -0.677043D+01  0.526145D+01 -0.790805D+01  0.150617D+02
      6  -0.848657D+01  0.537089D+01 -0.657032D+01  0.868161D+01 -0.101491D+02
               161           162           163           164           165 
      1   0.831533D+01 -0.157847D+02  0.618049D+01  0.284416D+00 -0.782969D+01
      2  -0.385262D+01 -0.283083D+01 -0.733159D+01 -0.637032D+00  0.650772D+01
      3  -0.446271D+01  0.186155D+02  0.115110D+01  0.352617D+00  0.132197D+01
      4   0.723483D+01 -0.106017D+02 -0.187450D+01  0.664409D+01  0.396263D+01
      5  -0.756424D+01  0.203167D+02 -0.139001D+02  0.243515D+01  0.142445D+02
      6   0.115754D+02 -0.183484D+02  0.232204D+01 -0.129009D+01 -0.222301D+01
               166           167           168           169           170 
      1   0.768422D+01  0.188229D+01 -0.172817D+01 -0.140391D+02 -0.312594D+01
      2  -0.490511D+01 -0.923757D+00  0.135176D+01  0.130253D+02  0.496002D+00
      3  -0.277911D+01 -0.958536D+00  0.376409D+00  0.101372D+01  0.262993D+01
      4   0.768249D+01 -0.421733D+01 -0.513612D+01  0.537552D+01 -0.801207D+01
      5  -0.293451D+00 -0.541388D+01  0.353577D+00  0.216475D+02 -0.777097D+01
      6  -0.167528D+01  0.170648D+01  0.531282D+01 -0.497294D+01  0.635389D+01
               171           172           173           174           175 
      1  -0.579895D+01  0.208380D+02 -0.889014D+01  0.391893D+01 -0.134633D+02
      2  -0.135691D+02 -0.382620D+01 -0.515393D+00 -0.895441D+00 -0.308447D+01
      3   0.193681D+02 -0.170118D+02  0.940553D+01 -0.302348D+01  0.165477D+02
      4  -0.106015D+02 -0.215577D+02  0.229441D+02 -0.175028D+01  0.339314D+02
      5  -0.443847D+02  0.471984D+01 -0.481567D+00  0.483338D+01 -0.868869D+00
      6   0.121667D+02 -0.109650D+01 -0.195614D+00 -0.126669D+01  0.309533D+00
               176           177           178           179           180 
      1  -0.306330D+00  0.596469D+00  0.180141D+02  0.155798D+01  0.168768D+01
      2   0.215946D+02 -0.269761D+01 -0.544896D+01 -0.483477D+01 -0.986555D-02
      3  -0.212883D+02  0.210114D+01 -0.125651D+02  0.327679D+01 -0.167782D+01
      4  -0.519765D+02  0.613545D+01 -0.819485D+01  0.144865D+02 -0.902079D+01
      5   0.549245D+01 -0.564283D+01  0.882379D+01 -0.780550D+01  0.222633D+01
      6  -0.117053D+01  0.447060D+01 -0.339195D+01  0.556978D+01 -0.208322D+01
               181           182           183           184           185 
      1  -0.116216D+01 -0.248350D+01  0.124962D+02 -0.747038D+01 -0.113983D+02
      2  -0.343561D+01  0.318420D+00 -0.386560D+01  0.297479D+01  0.483043D+01
      3   0.459778D+01  0.216508D+01 -0.863060D+01  0.449559D+01  0.656789D+01
      4  -0.411545D+01 -0.390686D+01  0.131427D+00 -0.364021D+01  0.108103D+01
      5   0.848150D+01 -0.256637D+00 -0.184289D+01  0.906977D+00  0.537190D+01
      6   0.154597D+01 -0.256266D-01 -0.130286D+01 -0.322433D+00  0.347668D+00
               186           187           188           189           190 
      1  -0.523467D+00  0.199503D+02 -0.505659D+00 -0.236624D+02 -0.554372D+02
      2   0.106635D+01 -0.858977D+01  0.118601D+01 -0.902583D+01  0.321234D+02
      3  -0.542886D+00 -0.113605D+02 -0.680348D+00  0.326882D+02  0.233138D+02
      4   0.494691D+01  0.136470D+01  0.600758D+01 -0.213572D+01 -0.173233D+02
      5  -0.618279D+00 -0.286912D+00 -0.689625D+00  0.514311D+02  0.340501D+01
      6   0.633628D+01 -0.217983D+00  0.355505D+01  0.656317D+01  0.263020D+01
               191           192           193           194           195 
      1   0.143127D+02  0.265407D+01  0.726811D+01 -0.109569D+02 -0.866895D+00
      2  -0.142706D+02 -0.109361D+01 -0.811039D+01  0.989474D+01  0.183709D+01
      3  -0.420760D-01 -0.156046D+01  0.842284D+00  0.106218D+01 -0.970195D+00
      4  -0.357788D+01  0.243799D+01  0.901615D+00 -0.722251D+00  0.228982D+01
      5   0.102623D+01 -0.162522D+01  0.147488D+00  0.282151D+01  0.815569D+00
      6   0.388538D+00 -0.344989D+01  0.613117D+00  0.155159D+01  0.199913D+01
               196           197           198           199           200 
      1   0.417158D+01 -0.245584D+01 -0.608915D+01  0.199259D+01  0.221909D+01
      2  -0.146135D+01  0.335915D+01  0.258492D+01 -0.163173D+01  0.130908D+01
      3  -0.271023D+01 -0.903312D+00  0.350423D+01 -0.360858D+00 -0.352818D+01
      4   0.171866D+01  0.417618D+01  0.157580D+01  0.616424D+01  0.953106D+01
      5   0.455875D+00  0.286807D+01 -0.283851D+01 -0.105409D+02 -0.343791D+01
      6  -0.263029D+01  0.356720D+01 -0.961554D+00 -0.430311D+01 -0.189841D+01
               201           202           203           204           205 
      1  -0.753606D+01 -0.291351D+00 -0.716054D-01  0.309443D+01 -0.108643D+02
      2   0.554049D+01  0.224451D+01  0.150765D+01 -0.320941D+01  0.777666D+01
      3   0.199557D+01 -0.195316D+01 -0.143604D+01  0.114980D+00  0.308764D+01
      4  -0.559823D+01  0.687751D+01  0.734726D+01 -0.619859D+01 -0.845170D+01
      5   0.133532D+02 -0.998235D+00 -0.657150D+01  0.432545D+01  0.156424D+02
      6   0.507915D+01 -0.172275D+01 -0.419899D+01  0.803718D+01  0.718574D+01
               206           207           208           209           210 
      1   0.572795D+01 -0.707353D+01  0.141343D+02  0.106176D+02  0.605940D+01
      2  -0.536069D+01 -0.838193D+01  0.206866D+01  0.686419D+01 -0.541216D+00
      3  -0.367266D+00  0.154555D+02 -0.162030D+02 -0.174818D+02 -0.551818D+01
      4  -0.133786D+02  0.166231D+02  0.276792D+02  0.333568D+02  0.847478D+01
      5   0.144013D+02 -0.497044D+02  0.829194D+01  0.574552D+01  0.874968D+01
      6   0.127043D+02 -0.285765D+02  0.537308D+01  0.434532D+01  0.596160D+01
               211           212           213           214           215 
      1   0.929890D+01 -0.210176D+01 -0.102851D+01  0.949437D+01 -0.223689D+01
      2   0.858930D+01  0.313857D+02  0.810047D+01 -0.593917D+00  0.120874D+02
      3  -0.178882D+02 -0.292840D+02 -0.707196D+01 -0.890046D+01 -0.985056D+01
      4   0.341028D+02  0.577307D+02  0.160236D+02  0.151836D+02  0.260542D+02
      5   0.683825D+01  0.143339D+02  0.104843D+02  0.116093D+02  0.144292D+02
      6   0.573840D+01  0.127262D+02  0.982931D+01  0.781700D+01  0.126415D+02
               216           217           218           219           220 
      1   0.150794D+01  0.268064D+02  0.136591D+01 -0.210909D+02  0.392698D+01
      2   0.257771D+01 -0.158222D+02 -0.547640D+00  0.122295D+02 -0.169182D+01
      3  -0.408566D+01 -0.109842D+02 -0.818274D+00  0.886139D+01 -0.223516D+01
      4   0.164679D+02  0.224807D+01  0.824234D+01  0.283278D+00  0.152798D+02
      5   0.964928D+01 -0.226661D+02  0.727681D+00  0.237298D+02  0.291064D+00
      6   0.841609D+01 -0.447555D+00  0.878999D-01  0.426113D+00 -0.100500D+01
               221           222           223           224           225 
      1   0.109430D+02  0.809513D+00 -0.461796D+02  0.194012D+01  0.283998D+02
      2  -0.557176D+01 -0.755611D+00  0.274448D+02 -0.154431D+01 -0.235461D+02
      3  -0.537122D+01 -0.539019D-01  0.187348D+02 -0.395813D+00 -0.485370D+01
      4  -0.168207D+01 -0.613844D+01  0.354652D+00 -0.104621D+02  0.914245D+00
      5  -0.599775D+01  0.114323D+01  0.424874D+02  0.672119D-02 -0.706801D+02
      6  -0.564166D+00  0.414968D+01  0.150171D+01  0.413371D+01 -0.199472D+01
               226           227           228           229           230 
      1   0.252664D+02 -0.217061D+02  0.106798D+02 -0.415820D+02  0.292483D+02
      2  -0.120382D+02  0.102117D+02 -0.560424D+01  0.199084D+02 -0.896670D+01
      3  -0.132282D+02  0.114944D+02 -0.507560D+01  0.216736D+02 -0.202816D+02
      4  -0.226508D+02  0.240693D+02 -0.682515D+01  0.405646D+02 -0.650981D+02
      5   0.123368D+02 -0.755199D+01  0.112576D+02 -0.132366D+02  0.231093D+02
      6  -0.246473D+01  0.192816D+01 -0.991299D+00  0.411617D+01 -0.695678D+01
               231           232           233           234           235 
      1  -0.793148D+01  0.196604D+02 -0.691229D+01  0.134281D+02  0.600001D+02
      2   0.466812D+01 -0.109454D+02  0.435828D+01 -0.938345D+01 -0.290830D+02
      3   0.326336D+01 -0.871509D+01  0.255401D+01 -0.404466D+01 -0.309170D+02
      4   0.217565D+02 -0.107754D+02  0.229156D+02 -0.150469D+02  0.338495D+02
      5  -0.180378D+02  0.206317D+02 -0.162163D+02  0.135382D+02  0.249538D+02
      6   0.565034D+01 -0.231516D+01  0.591180D+01 -0.410298D+01  0.508034D+01
               236           237           238           239           240 
      1   0.283482D+02  0.201698D+02  0.534990D+02  0.296222D+02  0.125170D+02
      2  -0.127220D+02 -0.107348D+02 -0.237413D+02 -0.883855D+01 -0.619530D+01
      3  -0.156261D+02 -0.943495D+01 -0.297577D+02 -0.207836D+02 -0.632170D+01
      4   0.267617D+02  0.113715D+02  0.447611D+02  0.424513D+02  0.214602D+02
      5   0.117091D+02  0.193965D+02  0.202825D+02  0.220631D+02  0.196608D+02
      6   0.300106D+01  0.280295D+01  0.639110D+01  0.693458D+01  0.619214D+01
               241           242           243           244           245 
      1   0.346912D+02  0.107079D+02  0.209589D+02  0.516939D+00  0.321368D+01
      2  -0.188856D+02 -0.532498D+01 -0.136741D+02 -0.407073D+01 -0.145946D+01
      3  -0.158055D+02 -0.538290D+01 -0.728485D+01  0.355379D+01 -0.175422D+01
      4   0.175805D+02  0.225062D+02  0.164473D+02  0.603135D+01  0.562628D+01
      5   0.320600D+02  0.169264D+02  0.211943D+02 -0.128896D+02 -0.168043D+01
      6   0.549062D+01  0.627169D+01  0.577682D+01 -0.381078D+01 -0.530229D+00
               246           247           248           249           250 
      1  -0.727386D+01  0.390408D+01  0.509861D+00  0.194391D+01 -0.859040D+01
      2   0.557078D+01 -0.155421D+01 -0.305161D+00 -0.543263D+00  0.866650D+01
      3   0.170307D+01 -0.234987D+01 -0.204700D+00 -0.140065D+01 -0.761039D-01
      4  -0.284006D+01  0.951728D+01  0.461929D+01 -0.743996D+01 -0.413375D+01
      5   0.124952D+02 -0.235428D+01 -0.754067D+01  0.872293D+01  0.174224D+02
      6   0.218442D+01 -0.182653D+01 -0.400449D+01  0.678423D+01  0.318954D+01
               251           252           253           254           255 
      1   0.231861D+01 -0.549990D+01 -0.830646D+02 -0.125981D+02  0.861359D+01
      2   0.375070D+00 -0.130018D+02  0.414254D+02  0.161937D+02 -0.544189D+01
      3  -0.269368D+01  0.185017D+02  0.416392D+02 -0.359558D+01 -0.317170D+01
      4  -0.100811D+02  0.898916D+01 -0.192766D+02  0.233958D+02  0.786931D+01
      5   0.755166D+01 -0.422544D+02  0.103411D+02  0.437032D+01  0.937823D+01
      6   0.610339D+01 -0.117486D+02  0.798119D+01  0.382939D+01  0.377727D+01
               256           257           258           259           260 
      1   0.891323D+01  0.361342D+02 -0.134330D+00  0.253329D+02  0.126825D+01
      2   0.346739D+01 -0.363892D+02  0.764253D+00 -0.900212D+01  0.439489D+01
      3  -0.123806D+02  0.255039D+00 -0.629923D+00 -0.163308D+02 -0.566314D+01
      4   0.330385D+02 -0.148634D+02  0.118352D+02  0.199807D+02  0.195264D+02
      5   0.101356D+02  0.148211D+02  0.121102D+02  0.149672D+02  0.110582D+02
      6   0.666065D+01  0.473499D+01  0.643474D+01  0.749265D+01  0.694773D+01
               261           262           263           264           265 
      1   0.133546D+02  0.414159D+01 -0.637786D+01 -0.127545D+01 -0.464284D+01
      2   0.596473D+01  0.304045D+01 -0.302136D+01 -0.254020D+00 -0.699840D+01
      3  -0.193194D+02 -0.718204D+01  0.939923D+01  0.152947D+01  0.116412D+02
      4   0.147336D+02 -0.128005D+02  0.188337D+02  0.364107D+01  0.235222D+02
      5  -0.272961D+02 -0.442087D+01  0.489396D+01  0.334179D+01  0.599622D+01
      6  -0.895404D+01  0.310216D+01 -0.383218D+01 -0.151193D+01 -0.498543D+01
               266           267           268           269           270 
      1  -0.100168D+02 -0.277425D+01  0.793545D+00 -0.251667D+00 -0.143928D+01
      2   0.353989D+02  0.448640D+01  0.230647D+01 -0.678534D+01  0.169129D+01
      3  -0.253822D+02 -0.171216D+01 -0.310002D+01  0.703701D+01 -0.252014D+00
      4  -0.584605D+02 -0.107700D+02 -0.438557D+01  0.101129D+02 -0.335057D+01
      5  -0.128460D+02 -0.996776D+01  0.182218D+01 -0.306466D+01 -0.252331D+01
      6   0.155087D+02  0.764070D+01 -0.100789D+01  0.334390D+01  0.164279D+01
               271           272           273           274           275 
      1   0.128087D+03  0.137360D+02 -0.437494D+01 -0.162578D+01  0.833449D+01
      2  -0.598231D+02 -0.265916D+01  0.176622D+01  0.456441D+01 -0.506452D+00
      3  -0.682638D+02 -0.110768D+02  0.260872D+01 -0.293863D+01 -0.782804D+01
      4   0.487409D+02  0.198548D+02 -0.437443D-01  0.148141D+02  0.704462D+01
      5   0.370210D+01  0.141481D+01  0.125980D+02 -0.877473D+00 -0.200045D+01
      6  -0.102561D+01  0.124585D+01  0.397970D+01  0.129757D+00 -0.430641D+00
               276           277           278           279           280 
      1   0.238693D+00 -0.156829D+02 -0.153412D+01  0.104223D+02 -0.876995D+00
      2  -0.486834D+00  0.627369D+01 -0.859700D+00 -0.717870D+01  0.463732D+01
      3   0.248141D+00  0.940918D+01  0.239382D+01 -0.324356D+01 -0.376032D+01
      4  -0.229225D+01 -0.778718D+01 -0.568156D+01  0.288501D+01  0.446906D+01
      5  -0.129967D+01  0.145111D+02  0.635447D+00 -0.495663D+00 -0.267171D+01
      6   0.756462D-02  0.419376D+01  0.840979D+00 -0.229693D+00 -0.919892D+00
               281           282           283           284           285 
      1   0.155747D+02 -0.157448D+01  0.108181D+02 -0.339534D+02  0.821443D-01
      2  -0.159166D+02  0.113644D+01 -0.509018D+01  0.548300D+02 -0.119056D+01
      3   0.341875D+00  0.438039D+00 -0.572792D+01 -0.208765D+02  0.110842D+01
      4  -0.683522D+01 -0.185948D+01  0.840368D+01  0.521458D+02 -0.697397D+00
      5   0.185066D+00 -0.278018D+01  0.120738D+01 -0.340222D+01  0.570671D+01
      6  -0.140043D+01 -0.251872D+01 -0.427418D-01  0.397791D+01  0.649244D+01
               286           287           288           289           290 
      1  -0.550115D+01  0.197461D+01 -0.659096D+01  0.652770D+01  0.123511D+01
      2   0.209115D+01 -0.567209D+01  0.541424D+01 -0.640223D+01 -0.225629D+01
      3   0.341000D+01  0.369748D+01  0.117673D+01 -0.125472D+00  0.102119D+01
      4  -0.431422D+01 -0.858138D+01  0.425614D+01  0.299368D+00 -0.303835D+01
      5  -0.415834D+00  0.574800D+01  0.251252D+00  0.477337D+01 -0.850682D+00
      6  -0.812445D+00  0.706005D+01 -0.533336D+00  0.832831D+00 -0.132842D+01
               291           292           293           294           295 
      1   0.656342D+01 -0.512718D+01 -0.645544D+01 -0.739677D+00  0.104796D+02
      2  -0.278678D+01  0.164289D+01  0.319164D+01  0.311446D+01 -0.650504D+01
      3  -0.377665D+01  0.348429D+01  0.326380D+01 -0.237478D+01 -0.397452D+01
      4   0.851767D+00 -0.374007D+01 -0.326758D+01  0.312856D+01  0.587743D+01
      5   0.127249D+01 -0.207919D+01  0.289865D+01 -0.473291D+01  0.104538D+02
      6  -0.932739D+00 -0.706901D+00  0.330960D+00  0.182977D+01  0.233920D+01
               296           297 
      1  -0.126070D+01 -0.119762D+02
      2   0.326560D+01 -0.133796D+02
      3  -0.200489D+01  0.253558D+02
      4   0.931836D+01  0.809121D+00
      5   0.196186D+01  0.452045D+02
      6   0.498477D+01  0.180860D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167076D+03      0.247581D+02      0.275471D+02
   aniso      0.768299D+02      0.113850D+02      0.126675D+02
   xx         0.217001D+03      0.321563D+02      0.357787D+02
   yx        -0.128859D+01     -0.190950D+00     -0.212460D+00
   yy         0.136384D+03      0.202100D+02      0.224866D+02
   zx         0.207567D+01      0.307582D+00      0.342231D+00
   zy        -0.770739D+01     -0.114212D+01     -0.127078D+01
   zz         0.147842D+03      0.219080D+02      0.243759D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167076D+03      0.247581D+02      0.275471D+02
   aniso      0.768299D+02      0.113850D+02      0.126675D+02
   xx         0.189412D+03      0.280679D+02      0.312298D+02
   yx         0.710461D+01      0.105279D+01      0.117139D+01
   yy         0.133956D+03      0.198502D+02      0.220863D+02
   zx         0.325733D+02      0.482686D+01      0.537061D+01
   zy         0.201066D+00      0.297949D-01      0.331513D-01
   zz         0.177860D+03      0.263561D+02      0.293251D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-18\Freq\RM11\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.6346,-0.289354,
 -1.230513\C,1.477234,-0.735999,-0.213732\C,-0.739449,-0.216152,-1.0477
 11\C,-1.314029,-0.589385,0.165609\C,-0.477653,-1.033716,1.186048\C,0.8
 95358,-1.109311,0.997103\C,2.970726,-0.778602,-0.392123\C,3.71661,0.37
 1103,0.313667\C,3.29911,1.735765,-0.230808\C,5.226988,0.171727,0.19860
 5\C,-2.81993,-0.538917,0.366414\C,-3.298609,0.879642,0.123443\O,-3.719
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 THE MORE ACCURATE THE CALCULATIONS BECOME, THE MORE THE CONCEPTS
 TEND TO VANISH INTO THIN AIR.
     -- R.S. MULLIKEN, J.C.P. 43,S2(1965)
 Job cpu time:       0 days  9 hours 51 minutes 16.3 seconds.
 Elapsed time:       0 days  1 hours 14 minutes  5.9 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 10:54:20 2021.
